2-(4-methyl-1,4-diazepan-4-ium-1-yl)-N'-oxidanyl-pyridine-3-carboximidamide

Systemtic Name: 2-(4-methyl-1,4-diazepan-4-ium-1-yl)-N'-oxidanyl-pyridine-3-carboximidamide Openeye Name: N'-hydroxy-2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridine-3-carboxamidine CAS Name: N'-hydroxy-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridinecarboximidamide IUPAC Name: N'-hydroxy-2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridine-3-carboximidamide Traditional Name: N'-hydroxy-2-(4-methyl-1,4-diazepan-4-ium-1-yl)nicotinamidine Formula: C12H20N5O+ MolecularWeight: 250.3201

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C2=C(C=CC=N2)C(=NO)N

Isomeric SMILES

C[NH+]1CCCN(CC1)C2=C(C=CC=N2)/C(=N\O)/N

InChI

InChI=1S/C12H19N5O/c1-16-6-3-7-17(9-8-16)12-10(11(13)15-18)4-2-5-14-12/h2,4-5,18H,3,6-9H2,1H3,(H2,13,15)/p+1