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

Systemtic Name: octyl 2-[1-[(E)-4-(2-chlorophenyl)but-2-enyl]piperidin-1-ium-1-yl]ethanoate Openeye Name: octyl 2-[1-[(E)-4-(2-chlorophenyl)but-2-enyl]piperidin-1-ium-1-yl]acetate CAS Name: 2-[1-[(E)-4-(2-chlorophenyl)but-2-enyl]-1-piperidin-1-iumyl]acetic acid octyl ester IUPAC Name: octyl 2-[1-[(E)-4-(2-chlorophenyl)but-2-enyl]piperidin-1-ium-1-yl]acetate Traditional Name: 2-[1-[(E)-4-(2-chlorophenyl)but-2-enyl]piperidin-1-ium-1-yl]acetic acid octyl ester Formula: C25H39ClNO2+ MolecularWeight: 421.03566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C[N+]1(CCCCC1)CC=CCC2=CC=CC=C2Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H39ClNO2/c1-2-3-4-5-6-14-21-29-25(28)22-27(18-11-7-12-19-27)20-13-10-16-23-15-8-9-17-24(23)26/h8-10,13,15,17H,2-7,11-12,14,16,18-22H2,1H3/q+1/b13-10+