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

Systemtic Name: (E)-3-(2,4-dimethylphenyl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]prop-2-enamide Openeye Name: (E)-N-(1-benzylpiperidin-1-ium-4-yl)-3-(2,4-dimethylphenyl)prop-2-enamide CAS Name: (E)-3-(2,4-dimethylphenyl)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-2-propenamide IUPAC Name: (E)-N-(1-benzylpiperidin-1-ium-4-yl)-3-(2,4-dimethylphenyl)prop-2-enamide Traditional Name: (E)-N-(1-benzylpiperidin-1-ium-4-yl)-3-(2,4-dimethylphenyl)acrylamide Formula: C23H29N2O+ MolecularWeight: 349.48916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C=CC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C/C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C23H28N2O/c1-18-8-9-21(19(2)16-18)10-11-23(26)24-22-12-14-25(15-13-22)17-20-6-4-3-5-7-20/h3-11,16,22H,12-15,17H2,1-2H3,(H,24,26)/p+1/b11-10+