decyl 2-[1-[(Z)-3-chloranyl-4-phenyl-but-2-enyl]piperidin-1-ium-1-yl]ethanoate chloride

Systemtic Name: decyl 2-[1-[(Z)-3-chloranyl-4-phenyl-but-2-enyl]piperidin-1-ium-1-yl]ethanoate chloride Openeye Name: decyl 2-[1-[(Z)-3-chloro-4-phenyl-but-2-enyl]piperidin-1-ium-1-yl]acetate chloride CAS Name: 2-[1-[(Z)-3-chloro-4-phenylbut-2-enyl]-1-piperidin-1-iumyl]acetic acid decyl ester chloride IUPAC Name: decyl 2-[1-[(Z)-3-chloro-4-phenylbut-2-enyl]piperidin-1-ium-1-yl]acetate chloride Traditional Name: 2-[1-[(Z)-3-chloro-4-phenyl-but-2-enyl]piperidin-1-ium-1-yl]acetic acid decyl ester chloride Formula: C27H43Cl2NO2 MolecularWeight: 484.54182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)C[N+]1(CCCCC1)CC=C(CC2=CC=CC=C2)Cl.[Cl-]

Isomeric SMILES

CCCCCCCCCCOC(=O)C[N+]1(CCCCC1)C/C=C(/CC2=CC=CC=C2)\Cl.[Cl-]

InChI

InChI=1S/C27H43ClNO2.ClH/c1-2-3-4-5-6-7-8-15-22-31-27(30)24-29(19-13-10-14-20-29)21-18-26(28)23-25-16-11-9-12-17-25;/h9,11-12,16-18H,2-8,10,13-15,19-24H2,1H3;1H/q+1;/p-1/b26-18-;