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

Systemtic Name: (E)-N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-3-pyridin-3-yl-prop-2-enamide Openeye Name: (E)-N-cyclopentyl-N-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]-3-(3-pyridyl)prop-2-enamide CAS Name: (E)-N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]-4-piperidin-1-iumyl]methyl]-3-(3-pyridinyl)-2-propenamide IUPAC Name: (E)-N-cyclopentyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-3-pyridin-3-ylprop-2-enamide Traditional Name: (E)-N-cyclopentyl-N-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]-3-(3-pyridyl)acrylamide Formula: C28H38N3O+ MolecularWeight: 432.62082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC[NH+]2CCC(CC2)CN(C3CCCC3)C(=O)C=CC4=CN=CC=C4

Isomeric SMILES

CC1=CC=CC=C1CC[NH+]2CCC(CC2)CN(C3CCCC3)C(=O)/C=C/C4=CN=CC=C4

InChI

InChI=1S/C28H37N3O/c1-23-7-2-3-9-26(23)16-20-30-18-14-25(15-19-30)22-31(27-10-4-5-11-27)28(32)13-12-24-8-6-17-29-21-24/h2-3,6-9,12-13,17,21,25,27H,4-5,10-11,14-16,18-20,22H2,1H3/p+1/b13-12+