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

Systemtic Name: (4-ethylphenyl)-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]-(1,3-thiazinan-2-ylidene)azanium Openeye Name: (4-ethylphenyl)-[2-(3-nitrophenyl)-2-oxo-ethyl]-(1,3-thiazinan-2-ylidene)ammonium CAS Name: (4-ethylphenyl)-[2-(3-nitrophenyl)-2-oxoethyl]-(1,3-thiazinan-2-ylidene)ammonium IUPAC Name: (4-ethylphenyl)-[2-(3-nitrophenyl)-2-oxoethyl]-(1,3-thiazinan-2-ylidene)azanium Traditional Name: (4-ethylphenyl)-[2-keto-2-(3-nitrophenyl)ethyl]-(1,3-thiazinan-2-ylidene)ammonium Formula: C20H22N3O3S+ MolecularWeight: 384.47198

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)[N+](=C2NCCCS2)CC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)[N+](=C2NCCCS2)CC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O3S/c1-2-15-7-9-17(10-8-15)22(20-21-11-4-12-27-20)14-19(24)16-5-3-6-18(13-16)23(25)26/h3,5-10,13H,2,4,11-12,14H2,1H3/p+1