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

Systemtic Name: azepan-2-ylidene-(4-ethoxyphenyl)-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]azanium Openeye Name: azepan-2-ylidene-(4-ethoxyphenyl)-[2-(4-nitrophenyl)-2-oxo-ethyl]ammonium CAS Name: 2-azepanylidene-(4-ethoxyphenyl)-[2-(4-nitrophenyl)-2-oxoethyl]ammonium IUPAC Name: azepan-2-ylidene-(4-ethoxyphenyl)-[2-(4-nitrophenyl)-2-oxoethyl]azanium Traditional Name: azepan-2-ylidene-[2-keto-2-(4-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=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4/c1-2-29-20-13-11-18(12-14-20)24(22-6-4-3-5-15-23-22)16-21(26)17-7-9-19(10-8-17)25(27)28/h7-14H,2-6,15-16H2,1H3/p+1