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

Systemtic Name: nonyl 2-[1-[(Z)-4-(2-chlorophenyl)-3-methyl-but-2-enyl]piperidin-1-ium-1-yl]ethanoate Openeye Name: nonyl 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 nonyl ester IUPAC Name: nonyl 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 nonyl ester Formula: C27H43ClNO2+ MolecularWeight: 449.08882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H43ClNO2/c1-3-4-5-6-7-8-14-21-31-27(30)23-29(18-12-9-13-19-29)20-17-24(2)22-25-15-10-11-16-26(25)28/h10-11,15-17H,3-9,12-14,18-23H2,1-2H3/q+1/b24-17-