(4-ethoxyphenyl)-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]-piperidin-2-ylidene-azanium

Systemtic Name: (4-ethoxyphenyl)-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]-piperidin-2-ylidene-azanium Openeye Name: (4-ethoxyphenyl)-[2-(3-nitrophenyl)-2-oxo-ethyl]-(2-piperidylidene)ammonium CAS Name: (4-ethoxyphenyl)-[2-(3-nitrophenyl)-2-oxoethyl]-(2-piperidinylidene)ammonium IUPAC Name: (4-ethoxyphenyl)-[2-(3-nitrophenyl)-2-oxoethyl]-piperidin-2-ylideneazanium Traditional Name: [2-keto-2-(3-nitrophenyl)ethyl]-(2-piperidylidene)-p-phenetyl-ammonium Formula: C21H24N3O4+ MolecularWeight: 382.43296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)[N+](=C2CCCCN2)CC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)[N+](=C2CCCCN2)CC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O4/c1-2-28-19-11-9-17(10-12-19)23(21-8-3-4-13-22-21)15-20(25)16-6-5-7-18(14-16)24(26)27/h5-7,9-12,14H,2-4,8,13,15H2,1H3/p+1