N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-3-yl]methyl]quinoxaline-5-carboxamide

Systemtic Name: N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-3-yl]methyl]quinoxaline-5-carboxamide Openeye Name: N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridyl]methyl]quinoxaline-5-carboxamide CAS Name: N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridinyl]methyl]-5-quinoxalinecarboxamide IUPAC Name: N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-3-yl]methyl]quinoxaline-5-carboxamide Traditional Name: N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridyl]methyl]quinoxaline-5-carboxamide Formula: C21H25N6O+ MolecularWeight: 377.4628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C2=C(C=CC=N2)CNC(=O)C3=C4C(=CC=C3)N=CC=N4

Isomeric SMILES

C[NH+]1CCCN(CC1)C2=C(C=CC=N2)CNC(=O)C3=C4C(=CC=C3)N=CC=N4

InChI

InChI=1S/C21H24N6O/c1-26-11-4-12-27(14-13-26)20-16(5-3-8-24-20)15-25-21(28)17-6-2-7-18-19(17)23-10-9-22-18/h2-3,5-10H,4,11-15H2,1H3,(H,25,28)/p+1