(E)-3-(3-bromophenyl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]prop-2-enamide

Systemtic Name: (E)-3-(3-bromophenyl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]prop-2-enamide Openeye Name: (E)-N-(1-benzylpiperidin-1-ium-4-yl)-3-(3-bromophenyl)prop-2-enamide CAS Name: (E)-3-(3-bromophenyl)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-2-propenamide IUPAC Name: (E)-N-(1-benzylpiperidin-1-ium-4-yl)-3-(3-bromophenyl)prop-2-enamide Traditional Name: (E)-N-(1-benzylpiperidin-1-ium-4-yl)-3-(3-bromophenyl)acrylamide Formula: C21H24BrN2O+ MolecularWeight: 400.33206

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C=CC2=CC(=CC=C2)Br)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1NC(=O)/C=C/C2=CC(=CC=C2)Br)CC3=CC=CC=C3

InChI

InChI=1S/C21H23BrN2O/c22-19-8-4-7-17(15-19)9-10-21(25)23-20-11-13-24(14-12-20)16-18-5-2-1-3-6-18/h1-10,15,20H,11-14,16H2,(H,23,25)/p+1/b10-9+