1-(phenylmethyl)-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-(phenylmethyl)-1,4-diazepan-1-ium-5-one Openeye Name: 1-benzyl-1,4-diazepan-1-ium-5-one CAS Name: 1-(phenylmethyl)-1,4-diazepan-1-ium-5-one IUPAC Name: 1-benzyl-1,4-diazepan-1-ium-5-one Traditional Name: 1-benzyl-1,4-diazepan-1-ium-5-one Formula: C12H17N2O+ MolecularWeight: 205.27618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCNC1=O)CC2=CC=CC=C2

Isomeric SMILES

C1C[NH+](CCNC1=O)CC2=CC=CC=C2

InChI

InChI=1S/C12H16N2O/c15-12-6-8-14(9-7-13-12)10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,13,15)/p+1