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

Systemtic Name: (E)-3-(3,4-dimethoxyphenyl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]prop-2-enamide Openeye Name: (E)-N-(1-benzylpiperidin-1-ium-4-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide CAS Name: (E)-3-(3,4-dimethoxyphenyl)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-2-propenamide IUPAC Name: (E)-N-(1-benzylpiperidin-1-ium-4-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide Traditional Name: (E)-N-(1-benzylpiperidin-1-ium-4-yl)-3-(3,4-dimethoxyphenyl)acrylamide Formula: C23H29N2O3+ MolecularWeight: 381.48796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C23H28N2O3/c1-27-21-10-8-18(16-22(21)28-2)9-11-23(26)24-20-12-14-25(15-13-20)17-19-6-4-3-5-7-19/h3-11,16,20H,12-15,17H2,1-2H3,(H,24,26)/p+1/b11-9+