6-methyl-N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]pyridine-2-carboxamide

Systemtic Name: 6-methyl-N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]pyridine-2-carboxamide Openeye Name: 6-methyl-N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]pyridine-2-carboxamide CAS Name: 6-methyl-N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridin-1-iumyl]methyl]-2-pyridinecarboxamide IUPAC Name: 6-methyl-N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]pyridine-2-carboxamide Traditional Name: 6-methyl-N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]picolinamide Formula: C19H27N5O+2 MolecularWeight: 341.45058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=N1)C(=O)NCC2=C([NH+]=CC=C2)N3CCC[NH+](CC3)C

Isomeric SMILES

CC1=CC=CC(=N1)C(=O)NCC2=C([NH+]=CC=C2)N3CCC[NH+](CC3)C

InChI

InChI=1S/C19H25N5O/c1-15-6-3-8-17(22-15)19(25)21-14-16-7-4-9-20-18(16)24-11-5-10-23(2)12-13-24/h3-4,6-9H,5,10-14H2,1-2H3,(H,21,25)/p+2