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

Systemtic Name: (3-methylphenyl)-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]-(1,3-thiazinan-2-ylidene)azanium Openeye Name: m-tolyl-[2-(3-nitrophenyl)-2-oxo-ethyl]-(1,3-thiazinan-2-ylidene)ammonium CAS Name: (3-methylphenyl)-[2-(3-nitrophenyl)-2-oxoethyl]-(1,3-thiazinan-2-ylidene)ammonium IUPAC Name: (3-methylphenyl)-[2-(3-nitrophenyl)-2-oxoethyl]-(1,3-thiazinan-2-ylidene)azanium Traditional Name: [2-keto-2-(3-nitrophenyl)ethyl]-(m-tolyl)-(1,3-thiazinan-2-ylidene)ammonium Formula: C19H20N3O3S+ MolecularWeight: 370.4454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)[N+](=C2NCCCS2)CC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)[N+](=C2NCCCS2)CC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O3S/c1-14-5-2-7-16(11-14)21(19-20-9-4-10-26-19)13-18(23)15-6-3-8-17(12-15)22(24)25/h2-3,5-8,11-12H,4,9-10,13H2,1H3/p+1