N-[4-[[1,1-bis(oxidanylidene)-1,4-thiazinan-4-ium-4-yl]methyl]phenyl]-3,4-dimethyl-benzamide

Systemtic Name: N-[4-[[1,1-bis(oxidanylidene)-1,4-thiazinan-4-ium-4-yl]methyl]phenyl]-3,4-dimethyl-benzamide Openeye Name: N-[4-[(1,1-dioxo-1,4-thiazinan-4-ium-4-yl)methyl]phenyl]-3,4-dimethyl-benzamide CAS Name: N-[4-[(1,1-dioxo-1,4-thiazinan-4-ium-4-yl)methyl]phenyl]-3,4-dimethylbenzamide IUPAC Name: N-[4-[(1,1-dioxo-1,4-thiazinan-4-ium-4-yl)methyl]phenyl]-3,4-dimethylbenzamide Traditional Name: N-[4-[(1,1-diketo-1,4-thiazinan-4-ium-4-yl)methyl]phenyl]-3,4-dimethyl-benzamide Formula: C20H25N2O3S+ MolecularWeight: 373.4891

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C[NH+]3CCS(=O)(=O)CC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C[NH+]3CCS(=O)(=O)CC3)C

InChI

InChI=1S/C20H24N2O3S/c1-15-3-6-18(13-16(15)2)20(23)21-19-7-4-17(5-8-19)14-22-9-11-26(24,25)12-10-22/h3-8,13H,9-12,14H2,1-2H3,(H,21,23)/p+1