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

Systemtic Name: methyl 2-[1-[(E)-4-(2-bromophenyl)but-2-enyl]piperidin-1-ium-1-yl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H25BrNO2+ MolecularWeight: 367.3006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25BrNO2/c1-22-18(21)15-20(12-6-2-7-13-20)14-8-5-10-16-9-3-4-11-17(16)19/h3-5,8-9,11H,2,6-7,10,12-15H2,1H3/q+1/b8-5+