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

Systemtic Name: azepan-2-ylidene-(4-ethoxyphenyl)-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]azanium Openeye Name: azepan-2-ylidene-(4-ethoxyphenyl)-[2-(3-nitrophenyl)-2-oxo-ethyl]ammonium CAS Name: 2-azepanylidene-(4-ethoxyphenyl)-[2-(3-nitrophenyl)-2-oxoethyl]ammonium IUPAC Name: azepan-2-ylidene-(4-ethoxyphenyl)-[2-(3-nitrophenyl)-2-oxoethyl]azanium Traditional Name: azepan-2-ylidene-[2-keto-2-(3-nitrophenyl)ethyl]-p-phenetyl-ammonium Formula: C22H26N3O4+ MolecularWeight: 396.45954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)[N+](=C2CCCCCN2)CC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)[N+](=C2CCCCCN2)CC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O4/c1-2-29-20-12-10-18(11-13-20)24(22-9-4-3-5-14-23-22)16-21(26)17-7-6-8-19(15-17)25(27)28/h6-8,10-13,15H,2-5,9,14,16H2,1H3/p+1