N-[[2-[4-(2-methylphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]pent-4-enamide

Systemtic Name: N-[[2-[4-(2-methylphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]pent-4-enamide Openeye Name: N-[[2-[4-(o-tolyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]pent-4-enamide CAS Name: N-[[2-[4-(2-methylphenyl)-1-piperazinyl]-3-pyridin-1-iumyl]methyl]-4-pentenamide IUPAC Name: N-[[2-[4-(2-methylphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]methyl]pent-4-enamide Traditional Name: N-[[2-[4-(o-tolyl)piperazino]pyridin-1-ium-3-yl]methyl]pent-4-enamide Formula: C22H29N4O+ MolecularWeight: 365.49186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C3=C(C=CC=[NH+]3)CNC(=O)CCC=C

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C3=C(C=CC=[NH+]3)CNC(=O)CCC=C

InChI

InChI=1S/C22H28N4O/c1-3-4-11-21(27)24-17-19-9-7-12-23-22(19)26-15-13-25(14-16-26)20-10-6-5-8-18(20)2/h3,5-10,12H,1,4,11,13-17H2,2H3,(H,24,27)/p+1