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To-Pro-1(2+)

Properties

Image

Occurences in reactions

MNX_ID

MNXM161675

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₂₄H₂₉N₃S

charge

mass

391.20712

reference

InChIKey

BCTNMRNAMOIDHS-UHFFFAOYSA-N

InChI

InChI=1S/C24H29N3S/c1-25-22-12-7-8-13-23(22)28-24(25)18-19-14-16-26(15-9-17-27(2,3)4)21-11-6-5-10-20(19)21/h5-8,10-14,16,18H,9,15,17H2,1-4H3/q+2

SMILES

C[n+]1c(C=C2C=CN(CCC[N+](C)(C)C)c3ccccc32)sc2ccccc21

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:52927 chebi:52927	To-Pro-1(2+) 3-methyl-2-({1-[3-(trimethylammonio)propyl]quinolin-4(1H)-ylidene}methyl)-1,3-benzothiazol-3-ium 4-[(3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-[3-(trimethylammonio)propyl]quinolinium To-Pro-1 cation To-Pro-1 dication