(2-ethoxyphenyl)-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]-(1,3-thiazinan-2-ylidene)azanium

Systemtic Name: (2-ethoxyphenyl)-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]-(1,3-thiazinan-2-ylidene)azanium Openeye Name: (2-ethoxyphenyl)-[2-(3-nitrophenyl)-2-oxo-ethyl]-(1,3-thiazinan-2-ylidene)ammonium CAS Name: (2-ethoxyphenyl)-[2-(3-nitrophenyl)-2-oxoethyl]-(1,3-thiazinan-2-ylidene)ammonium IUPAC Name: (2-ethoxyphenyl)-[2-(3-nitrophenyl)-2-oxoethyl]-(1,3-thiazinan-2-ylidene)azanium Traditional Name: [2-keto-2-(3-nitrophenyl)ethyl]-o-phenetyl-(1,3-thiazinan-2-ylidene)ammonium Formula: C20H22N3O4S+ MolecularWeight: 400.47138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1[N+](=C2NCCCS2)CC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1[N+](=C2NCCCS2)CC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O4S/c1-2-27-19-10-4-3-9-17(19)22(20-21-11-6-12-28-20)14-18(24)15-7-5-8-16(13-15)23(25)26/h3-5,7-10,13H,2,6,11-12,14H2,1H3/p+1