N-[[2-[methyl-(phenylmethyl)amino]pyridin-1-ium-3-yl]methyl]but-3-enamide

Systemtic Name: N-[[2-[methyl-(phenylmethyl)amino]pyridin-1-ium-3-yl]methyl]but-3-enamide Openeye Name: N-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]but-3-enamide CAS Name: N-[[2-[methyl-(phenylmethyl)amino]-3-pyridin-1-iumyl]methyl]-3-butenamide IUPAC Name: N-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]but-3-enamide Traditional Name: N-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]but-3-enamide Formula: C18H22N3O+ MolecularWeight: 296.38678

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=C(C=CC=[NH+]2)CNC(=O)CC=C

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=C(C=CC=[NH+]2)CNC(=O)CC=C

InChI

InChI=1S/C18H21N3O/c1-3-8-17(22)20-13-16-11-7-12-19-18(16)21(2)14-15-9-5-4-6-10-15/h3-7,9-12H,1,8,13-14H2,2H3,(H,20,22)/p+1