| Properties | Image |
MNX_ID | MNXM161636 |
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reference | keggD:D06146 |
formula | C12H18ClNOS |
global charge | 0 |
mol weight | 259.802 |
InChIKey | ZUYKJZQOPXDNOK-UHFFFAOYSA-N |
InChI | InChI=1S/C12H17NOS.ClH/c1-2-13-12(11-7-5-9-15-11)8-4-3-6-10(12)14;/h5,7,9,13H,2-4,6,8H2,1H3;1H |
SMILES | CCNC1(C2=CC=CS2)CCCCC1=O.Cl |
MNX internals
InChI (mnx) | InChI=1/C12H17NOS.ClH/c1-2-13-12(11-7-5-9-15-11)8-4-3-6-10(12)14;/h5,7,9,13H,2-4,6,8H2,1H3;1H/t12?; |
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SMILES (mnx) | [CH3:1][CH2:2][NH:13][C:12]1([C:11]2=[CH:7][CH:5]=[CH:9][S:15]2)[CH2:8][CH2:4][CH2:3][CH2:6][C:10]1=[O:14].[ClH:16] |
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