octyl 2-[1-[(Z)-4-(2-chlorophenyl)-3-methyl-but-2-enyl]piperidin-1-ium-1-yl]ethanoate

Systemtic Name: octyl 2-[1-[(Z)-4-(2-chlorophenyl)-3-methyl-but-2-enyl]piperidin-1-ium-1-yl]ethanoate Openeye Name: octyl 2-[1-[(Z)-4-(2-chlorophenyl)-3-methyl-but-2-enyl]piperidin-1-ium-1-yl]acetate CAS Name: 2-[1-[(Z)-4-(2-chlorophenyl)-3-methylbut-2-enyl]-1-piperidin-1-iumyl]acetic acid octyl ester IUPAC Name: octyl 2-[1-[(Z)-4-(2-chlorophenyl)-3-methylbut-2-enyl]piperidin-1-ium-1-yl]acetate Traditional Name: 2-[1-[(Z)-4-(2-chlorophenyl)-3-methyl-but-2-enyl]piperidin-1-ium-1-yl]acetic acid octyl ester Formula: C26H41ClNO2+ MolecularWeight: 435.06224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C[N+]1(CCCCC1)CC=C(C)CC2=CC=CC=C2Cl

Isomeric SMILES

CCCCCCCCOC(=O)C[N+]1(CCCCC1)C/C=C(/C)\CC2=CC=CC=C2Cl

InChI

InChI=1S/C26H41ClNO2/c1-3-4-5-6-7-13-20-30-26(29)22-28(17-11-8-12-18-28)19-16-23(2)21-24-14-9-10-15-25(24)27/h9-10,14-16H,3-8,11-13,17-22H2,1-2H3/q+1/b23-16-