4-methyl-N-naphthalen-1-yl-1,4-diazepan-4-ium-1-carboxamide

Systemtic Name: 4-methyl-N-naphthalen-1-yl-1,4-diazepan-4-ium-1-carboxamide Openeye Name: 4-methyl-N-(1-naphthyl)-1,4-diazepan-4-ium-1-carboxamide CAS Name: 4-methyl-N-(1-naphthalenyl)-1,4-diazepan-4-ium-1-carboxamide IUPAC Name: 4-methyl-N-naphthalen-1-yl-1,4-diazepan-4-ium-1-carboxamide Traditional Name: 4-methyl-N-(1-naphthyl)-1,4-diazepan-4-ium-1-carboxamide Formula: C17H22N3O+ MolecularWeight: 284.37608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)NC2=CC=CC3=CC=CC=C32

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)NC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C17H21N3O/c1-19-10-5-11-20(13-12-19)17(21)18-16-9-4-7-14-6-2-3-8-15(14)16/h2-4,6-9H,5,10-13H2,1H3,(H,18,21)/p+1