1-[(3-chlorophenyl)methyl]-4-methyl-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-[(3-chlorophenyl)methyl]-4-methyl-1,4-diazepan-1-ium-5-one Openeye Name: 1-[(3-chlorophenyl)methyl]-4-methyl-1,4-diazepan-1-ium-5-one CAS Name: 1-[(3-chlorophenyl)methyl]-4-methyl-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[(3-chlorophenyl)methyl]-4-methyl-1,4-diazepan-1-ium-5-one Traditional Name: 1-(3-chlorobenzyl)-4-methyl-1,4-diazepan-1-ium-5-one Formula: C13H18ClN2O+ MolecularWeight: 253.74782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CCC1=O)CC2=CC(=CC=C2)Cl

Isomeric SMILES

CN1CC[NH+](CCC1=O)CC2=CC(=CC=C2)Cl

InChI

InChI=1S/C13H17ClN2O/c1-15-7-8-16(6-5-13(15)17)10-11-3-2-4-12(14)9-11/h2-4,9H,5-8,10H2,1H3/p+1