(E)-N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-3-pyridin-4-yl-prop-2-enamide

Systemtic Name: (E)-N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-3-pyridin-4-yl-prop-2-enamide Openeye Name: (E)-N-ethyl-N-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]-3-(4-pyridyl)prop-2-enamide CAS Name: (E)-N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]-4-piperidin-1-iumyl]methyl]-3-pyridin-4-yl-2-propenamide IUPAC Name: (E)-N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-3-pyridin-4-ylprop-2-enamide Traditional Name: (E)-N-ethyl-N-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]-3-(4-pyridyl)acrylamide Formula: C25H34N3O+ MolecularWeight: 392.55696

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1CC[NH+](CC1)CCC2=CC=CC=C2C)C(=O)C=CC3=CC=NC=C3

Isomeric SMILES

CCN(CC1CC[NH+](CC1)CCC2=CC=CC=C2C)C(=O)/C=C/C3=CC=NC=C3

InChI

InChI=1S/C25H33N3O/c1-3-28(25(29)9-8-22-10-15-26-16-11-22)20-23-12-17-27(18-13-23)19-14-24-7-5-4-6-21(24)2/h4-11,15-16,23H,3,12-14,17-20H2,1-2H3/p+1/b9-8+