6,7-dimethoxy-3-[(4-nitrophenyl)methyl]-2H-1,3-benzothiazin-3-ium chloride

Systemtic Name: 6,7-dimethoxy-3-[(4-nitrophenyl)methyl]-2H-1,3-benzothiazin-3-ium chloride Openeye Name: 6,7-dimethoxy-3-[(4-nitrophenyl)methyl]-2H-1,3-benzothiazin-3-ium chloride CAS Name: 6,7-dimethoxy-3-[(4-nitrophenyl)methyl]-2H-1,3-benzothiazin-3-ium chloride IUPAC Name: 6,7-dimethoxy-3-[(4-nitrophenyl)methyl]-2H-1,3-benzothiazin-3-ium chloride Traditional Name: 6,7-dimethoxy-3-(4-nitrobenzyl)-2H-1,3-benzothiazin-3-ium chloride Formula: C17H17ClN2O4S MolecularWeight: 380.84588

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=[N+](CS2)CC3=CC=C(C=C3)[N+](=O)[O-])OC.[Cl-]

Isomeric SMILES

COC1=C(C=C2C(=C1)C=[N+](CS2)CC3=CC=C(C=C3)[N+](=O)[O-])OC.[Cl-]

InChI

InChI=1S/C17H17N2O4S.ClH/c1-22-15-7-13-10-18(11-24-17(13)8-16(15)23-2)9-12-3-5-14(6-4-12)19(20)21;/h3-8,10H,9,11H2,1-2H3;1H/q+1;/p-1