7-methoxy-1-(4-methylphenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-1-ium

Systemtic Name: 7-methoxy-1-(4-methylphenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-1-ium Openeye Name: 7-methoxy-1-(p-tolyl)-3-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-1-ium CAS Name: 7-methoxy-1-(4-methylphenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-1-ium IUPAC Name: 7-methoxy-1-(4-methylphenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-1-ium Traditional Name: 7-methoxy-1-(p-tolyl)-3-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-1-ium Formula: C17H17F3NOS+ MolecularWeight: 340.38319

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[S+]2CC(NC3=C2C=C(C=C3)OC)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)[S+]2CC(NC3=C2C=C(C=C3)OC)C(F)(F)F

InChI

InChI=1S/C17H17F3NOS/c1-11-3-6-13(7-4-11)23-10-16(17(18,19)20)21-14-8-5-12(22-2)9-15(14)23/h3-9,16,21H,10H2,1-2H3/q+1