N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-3-yl]methyl]-3-(2-methylphenyl)propanamide

Systemtic Name: N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-3-yl]methyl]-3-(2-methylphenyl)propanamide Openeye Name: N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridyl]methyl]-3-(o-tolyl)propanamide CAS Name: N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridinyl]methyl]-3-(2-methylphenyl)propanamide IUPAC Name: N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-3-yl]methyl]-3-(2-methylphenyl)propanamide Traditional Name: N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridyl]methyl]-3-(o-tolyl)propionamide Formula: C22H31N4O+ MolecularWeight: 367.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCC(=O)NCC2=C(N=CC=C2)N3CCC[NH+](CC3)C

Isomeric SMILES

CC1=CC=CC=C1CCC(=O)NCC2=C(N=CC=C2)N3CCC[NH+](CC3)C

InChI

InChI=1S/C22H30N4O/c1-18-7-3-4-8-19(18)10-11-21(27)24-17-20-9-5-12-23-22(20)26-14-6-13-25(2)15-16-26/h3-5,7-9,12H,6,10-11,13-17H2,1-2H3,(H,24,27)/p+1