N-(3-aminophenyl)-4-methyl-1,4-diazepan-4-ium-1-carboxamide

Systemtic Name: N-(3-aminophenyl)-4-methyl-1,4-diazepan-4-ium-1-carboxamide Openeye Name: N-(3-aminophenyl)-4-methyl-1,4-diazepan-4-ium-1-carboxamide CAS Name: N-(3-aminophenyl)-4-methyl-1,4-diazepan-4-ium-1-carboxamide IUPAC Name: N-(3-aminophenyl)-4-methyl-1,4-diazepan-4-ium-1-carboxamide Traditional Name: N-(3-aminophenyl)-4-methyl-1,4-diazepan-4-ium-1-carboxamide Formula: C13H21N4O+ MolecularWeight: 249.33204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)NC2=CC=CC(=C2)N

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)NC2=CC=CC(=C2)N

InChI

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