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

Systemtic Name: (E)-3-(4-dimethylaminophenyl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]prop-2-enamide Openeye Name: (E)-N-(1-benzylpiperidin-1-ium-4-yl)-3-(4-dimethylaminophenyl)prop-2-enamide CAS Name: (E)-3-(4-dimethylaminophenyl)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-2-propenamide IUPAC Name: (E)-N-(1-benzylpiperidin-1-ium-4-yl)-3-(4-dimethylaminophenyl)prop-2-enamide Traditional Name: (E)-N-(1-benzylpiperidin-1-ium-4-yl)-3-(4-dimethylaminophenyl)acrylamide Formula: C23H30N3O+ MolecularWeight: 364.5038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O/c1-25(2)22-11-8-19(9-12-22)10-13-23(27)24-21-14-16-26(17-15-21)18-20-6-4-3-5-7-20/h3-13,21H,14-18H2,1-2H3,(H,24,27)/p+1/b13-10+