2-(1,4-diazepan-4-ium-1-yl)benzamide

Systemtic Name: 2-(1,4-diazepan-4-ium-1-yl)benzamide Openeye Name: 2-(1,4-diazepan-4-ium-1-yl)benzamide CAS Name: 2-(1,4-diazepan-4-ium-1-yl)benzamide IUPAC Name: 2-(1,4-diazepan-4-ium-1-yl)benzamide Traditional Name: 2-(1,4-diazepan-4-ium-1-yl)benzamide Formula: C12H18N3O+ MolecularWeight: 220.29082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C2=CC=CC=C2C(=O)N

Isomeric SMILES

C1C[NH2+]CCN(C1)C2=CC=CC=C2C(=O)N

InChI

InChI=1S/C12H17N3O/c13-12(16)10-4-1-2-5-11(10)15-8-3-6-14-7-9-15/h1-2,4-5,14H,3,6-9H2,(H2,13,16)/p+1