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

Systemtic Name: (4-ethoxyphenyl)-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]-(1,3-thiazinan-2-ylidene)azanium Openeye Name: (4-ethoxyphenyl)-[2-(3-nitrophenyl)-2-oxo-ethyl]-(1,3-thiazinan-2-ylidene)ammonium CAS Name: (4-ethoxyphenyl)-[2-(3-nitrophenyl)-2-oxoethyl]-(1,3-thiazinan-2-ylidene)ammonium IUPAC Name: (4-ethoxyphenyl)-[2-(3-nitrophenyl)-2-oxoethyl]-(1,3-thiazinan-2-ylidene)azanium Traditional Name: [2-keto-2-(3-nitrophenyl)ethyl]-p-phenetyl-(1,3-thiazinan-2-ylidene)ammonium Formula: C20H22N3O4S+ MolecularWeight: 400.47138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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