6,7-dimethoxy-4-phenyl-3-(phenylmethyl)-2H-1,3-benzothiazin-3-ium

Systemtic Name: 6,7-dimethoxy-4-phenyl-3-(phenylmethyl)-2H-1,3-benzothiazin-3-ium Openeye Name: 3-benzyl-6,7-dimethoxy-4-phenyl-2H-1,3-benzothiazin-3-ium CAS Name: 6,7-dimethoxy-4-phenyl-3-(phenylmethyl)-2H-1,3-benzothiazin-3-ium IUPAC Name: 3-benzyl-6,7-dimethoxy-4-phenyl-2H-1,3-benzothiazin-3-ium Traditional Name: 3-benzyl-6,7-dimethoxy-4-phenyl-2H-1,3-benzothiazin-3-ium Formula: C23H22NO2S+ MolecularWeight: 376.49128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=[N+](CS2)CC3=CC=CC=C3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=[N+](CS2)CC3=CC=CC=C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C23H22NO2S/c1-25-20-13-19-22(14-21(20)26-2)27-16-24(15-17-9-5-3-6-10-17)23(19)18-11-7-4-8-12-18/h3-14H,15-16H2,1-2H3/q+1