| Properties | Image |
MNX_ID | MNXM162122 |
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reference | keggD:D02572 |
formula | C13H20ClNO3 |
global charge | 0 |
mol weight | 273.76 |
InChIKey | HJOCKFVCMLCPTP-UHFFFAOYSA-N |
InChI | InChI=1S/C13H19NO3.ClH/c1-2-15-12-5-3-4-6-13(12)17-10-11-9-14-7-8-16-11;/h3-6,11,14H,2,7-10H2,1H3;1H |
SMILES | CCOC1=C(OCC2CNCCO2)C=CC=C1.Cl |
MNX internals
InChI (mnx) | InChI=1/C13H19NO3.ClH/c1-2-15-12-5-3-4-6-13(12)17-10-11-9-14-7-8-16-11;/h3-6,11,14H,2,7-10H2,1H3;1H/t11?; |
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SMILES (mnx) | [CH3:1][CH2:2][O:15][C:12]1=[CH:5][CH:3]=[CH:4][CH:6]=[C:13]1[O:17][CH2:10][CH:11]1[CH2:9][NH:14][CH2:7][CH2:8][O:16]1.[ClH:18] |
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