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

Systemtic Name: butyl 2-[1-[(E)-4-(2-bromophenyl)but-2-enyl]piperidin-1-ium-1-yl]ethanoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C21H31BrNO2+ MolecularWeight: 409.38034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31BrNO2/c1-2-3-17-25-21(24)18-23(14-8-4-9-15-23)16-10-7-12-19-11-5-6-13-20(19)22/h5-7,10-11,13H,2-4,8-9,12,14-18H2,1H3/q+1/b10-7+