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

Systemtic Name: decyl 2-[1-[(Z)-3-chloranyl-4-(4-methoxyphenyl)but-2-enyl]piperidin-1-ium-1-yl]ethanoate Openeye Name: decyl 2-[1-[(Z)-3-chloro-4-(4-methoxyphenyl)but-2-enyl]piperidin-1-ium-1-yl]acetate CAS Name: 2-[1-[(Z)-3-chloro-4-(4-methoxyphenyl)but-2-enyl]-1-piperidin-1-iumyl]acetic acid decyl ester IUPAC Name: decyl 2-[1-[(Z)-3-chloro-4-(4-methoxyphenyl)but-2-enyl]piperidin-1-ium-1-yl]acetate Traditional Name: 2-[1-[(Z)-3-chloro-4-(4-methoxyphenyl)but-2-enyl]piperidin-1-ium-1-yl]acetic acid decyl ester Formula: C28H45ClNO3+ MolecularWeight: 479.1148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H45ClNO3/c1-3-4-5-6-7-8-9-13-22-33-28(31)24-30(19-11-10-12-20-30)21-18-26(29)23-25-14-16-27(32-2)17-15-25/h14-18H,3-13,19-24H2,1-2H3/q+1/b26-18-