N-(3-chlorophenyl)-1,4-diazepan-4-ium-1-carboxamide

Systemtic Name: N-(3-chlorophenyl)-1,4-diazepan-4-ium-1-carboxamide Openeye Name: N-(3-chlorophenyl)-1,4-diazepan-4-ium-1-carboxamide CAS Name: N-(3-chlorophenyl)-1,4-diazepan-4-ium-1-carboxamide IUPAC Name: N-(3-chlorophenyl)-1,4-diazepan-4-ium-1-carboxamide Traditional Name: N-(3-chlorophenyl)-1,4-diazepan-4-ium-1-carboxamide Formula: C12H17ClN3O+ MolecularWeight: 254.73588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C(=O)NC2=CC(=CC=C2)Cl

Isomeric SMILES

C1C[NH2+]CCN(C1)C(=O)NC2=CC(=CC=C2)Cl

InChI

InChI=1S/C12H16ClN3O/c13-10-3-1-4-11(9-10)15-12(17)16-7-2-5-14-6-8-16/h1,3-4,9,14H,2,5-8H2,(H,15,17)/p+1