(2-methylphenyl)-[2-oxidanylidene-2-(4-phenoxyphenyl)ethyl]-(1,3-thiazinan-2-ylidene)azanium

Systemtic Name: (2-methylphenyl)-[2-oxidanylidene-2-(4-phenoxyphenyl)ethyl]-(1,3-thiazinan-2-ylidene)azanium Openeye Name: o-tolyl-[2-oxo-2-(4-phenoxyphenyl)ethyl]-(1,3-thiazinan-2-ylidene)ammonium CAS Name: (2-methylphenyl)-[2-oxo-2-(4-phenoxyphenyl)ethyl]-(1,3-thiazinan-2-ylidene)ammonium IUPAC Name: (2-methylphenyl)-[2-oxo-2-(4-phenoxyphenyl)ethyl]-(1,3-thiazinan-2-ylidene)azanium Traditional Name: [2-keto-2-(4-phenoxyphenyl)ethyl]-(o-tolyl)-(1,3-thiazinan-2-ylidene)ammonium Formula: C25H25N2O2S+ MolecularWeight: 417.5432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1[N+](=C2NCCCS2)CC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1[N+](=C2NCCCS2)CC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H24N2O2S/c1-19-8-5-6-11-23(19)27(25-26-16-7-17-30-25)18-24(28)20-12-14-22(15-13-20)29-21-9-3-2-4-10-21/h2-6,8-15H,7,16-18H2,1H3/p+1