azepan-2-ylidene-(2,5-dimethoxyphenyl)-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]azanium

Systemtic Name: azepan-2-ylidene-(2,5-dimethoxyphenyl)-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]azanium Openeye Name: azepan-2-ylidene-(2,5-dimethoxyphenyl)-[2-(4-nitrophenyl)-2-oxo-ethyl]ammonium CAS Name: 2-azepanylidene-(2,5-dimethoxyphenyl)-[2-(4-nitrophenyl)-2-oxoethyl]ammonium IUPAC Name: azepan-2-ylidene-(2,5-dimethoxyphenyl)-[2-(4-nitrophenyl)-2-oxoethyl]azanium Traditional Name: azepan-2-ylidene-(2,5-dimethoxyphenyl)-[2-keto-2-(4-nitrophenyl)ethyl]ammonium Formula: C22H26N3O5+ MolecularWeight: 412.45894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)[N+](=C2CCCCCN2)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)[N+](=C2CCCCCN2)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O5/c1-29-18-11-12-21(30-2)19(14-18)24(22-6-4-3-5-13-23-22)15-20(26)16-7-9-17(10-8-16)25(27)28/h7-12,14H,3-6,13,15H2,1-2H3/p+1