zinc 5-heptyl-5-oxidanidyl-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one

Systemtic Name: zinc 5-heptyl-5-oxidanidyl-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one Openeye Name: zinc 5-heptyl-5-oxido-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one CAS Name: zinc 5-heptyl-5-oxido-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one IUPAC Name: zinc 5-heptyl-5-oxido-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one Traditional Name: zinc 5-heptyl-5-oxido-2-phenyl-2,4-dihydro-1H-1,5-benzodiazepin-5-ium-3-one Formula: C22H28N2O2Zn+2 MolecularWeight: 417.87892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+]1(CC(=O)C(NC2=CC=CC=C21)C3=CC=CC=C3)[O-].[Zn+2]

Isomeric SMILES

CCCCCCC[N+]1(CC(=O)C(NC2=CC=CC=C21)C3=CC=CC=C3)[O-].[Zn+2]

InChI

InChI=1S/C22H28N2O2.Zn/c1-2-3-4-5-11-16-24(26)17-21(25)22(18-12-7-6-8-13-18)23-19-14-9-10-15-20(19)24;/h6-10,12-15,22-23H,2-5,11,16-17H2,1H3;/q;+2