(E)-(5-oxidanylidene-1-phenyl-pyrazolidin-3-ylidene)-(3,4,5,6-tetrahydro-2H-azepin-7-yl)azanium

Systemtic Name: (E)-(5-oxidanylidene-1-phenyl-pyrazolidin-3-ylidene)-(3,4,5,6-tetrahydro-2H-azepin-7-yl)azanium Openeye Name: (E)-(5-oxo-1-phenyl-pyrazolidin-3-ylidene)-(3,4,5,6-tetrahydro-2H-azepin-7-yl)ammonium CAS Name: (E)-(5-oxo-1-phenyl-3-pyrazolidinylidene)-(3,4,5,6-tetrahydro-2H-azepin-7-yl)ammonium IUPAC Name: (E)-(5-oxo-1-phenylpyrazolidin-3-ylidene)-(3,4,5,6-tetrahydro-2H-azepin-7-yl)azanium Traditional Name: (E)-(5-keto-1-phenyl-pyrazolidin-3-ylidene)-(3,4,5,6-tetrahydro-2H-azepin-7-yl)ammonium Formula: C15H19N4O+ MolecularWeight: 271.33756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)[NH+]=C2CC(=O)N(N2)C3=CC=CC=C3

Isomeric SMILES

C1CCC(=NCC1)/[NH+]=C/2\CC(=O)N(N2)C3=CC=CC=C3

InChI

InChI=1S/C15H18N4O/c20-15-11-14(17-13-9-5-2-6-10-16-13)18-19(15)12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H,16,17,18)/p+1