2-(4-methyl-1,4-diazepan-4-ium-1-yl)-N'-oxidanyl-benzenecarboximidamide

Systemtic Name: 2-(4-methyl-1,4-diazepan-4-ium-1-yl)-N'-oxidanyl-benzenecarboximidamide Openeye Name: N'-hydroxy-2-(4-methyl-1,4-diazepan-4-ium-1-yl)benzamidine CAS Name: N'-hydroxy-2-(4-methyl-1,4-diazepan-4-ium-1-yl)benzenecarboximidamide IUPAC Name: N'-hydroxy-2-(4-methyl-1,4-diazepan-4-ium-1-yl)benzenecarboximidamide Traditional Name: N'-hydroxy-2-(4-methyl-1,4-diazepan-4-ium-1-yl)benzamidine Formula: C13H21N4O+ MolecularWeight: 249.33204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C2=CC=CC=C2C(=NO)N

Isomeric SMILES

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

InChI

InChI=1S/C13H20N4O/c1-16-7-4-8-17(10-9-16)12-6-3-2-5-11(12)13(14)15-18/h2-3,5-6,18H,4,7-10H2,1H3,(H2,14,15)/p+1