decyl 2-[1-[(E)-4-(2-bromophenyl)but-2-enyl]piperidin-1-ium-1-yl]ethanoate

Systemtic Name: decyl 2-[1-[(E)-4-(2-bromophenyl)but-2-enyl]piperidin-1-ium-1-yl]ethanoate Openeye Name: decyl 2-[1-[(E)-4-(2-bromophenyl)but-2-enyl]piperidin-1-ium-1-yl]acetate CAS Name: 2-[1-[(E)-4-(2-bromophenyl)but-2-enyl]-1-piperidin-1-iumyl]acetic acid decyl ester IUPAC Name: decyl 2-[1-[(E)-4-(2-bromophenyl)but-2-enyl]piperidin-1-ium-1-yl]acetate Traditional Name: 2-[1-[(E)-4-(2-bromophenyl)but-2-enyl]piperidin-1-ium-1-yl]acetic acid decyl ester Formula: C27H43BrNO2+ MolecularWeight: 493.53982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)C[N+]1(CCCCC1)CC=CCC2=CC=CC=C2Br

Isomeric SMILES

CCCCCCCCCCOC(=O)C[N+]1(CCCCC1)C/C=C/CC2=CC=CC=C2Br

InChI

InChI=1S/C27H43BrNO2/c1-2-3-4-5-6-7-8-16-23-31-27(30)24-29(20-13-9-14-21-29)22-15-12-18-25-17-10-11-19-26(25)28/h10-12,15,17,19H,2-9,13-14,16,18,20-24H2,1H3/q+1/b15-12+