6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-2-[(4-ethoxy-3-methoxy-phenyl)methylidene]-4-methyl-1,4-benzothiazin-3-one

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-2-[(4-ethoxy-3-methoxy-phenyl)methylidene]-4-methyl-1,4-benzothiazin-3-one Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-2-[(4-ethoxy-3-methoxy-phenyl)methylene]-4-methyl-1,4-benzothiazin-3-one CAS Name: 6-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-2-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-methyl-1,4-benzothiazin-3-one IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-2-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-methyl-1,4-benzothiazin-3-one Traditional Name: 2-(4-ethoxy-3-methoxy-benzylidene)-4-methyl-6-(4-piperonylpiperazin-4-ium-1-carbonyl)-1,4-benzothiazin-3-one Formula: C32H34N3O6S+ MolecularWeight: 588.69386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=C2C(=O)N(C3=C(S2)C=CC(=C3)C(=O)N4CC[NH+](CC4)CC5=CC6=C(C=C5)OCO6)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C=C2C(=O)N(C3=C(S2)C=CC(=C3)C(=O)N4CC[NH+](CC4)CC5=CC6=C(C=C5)OCO6)C)OC

InChI

InChI=1S/C32H33N3O6S/c1-4-39-25-8-5-21(15-27(25)38-3)17-30-32(37)33(2)24-18-23(7-10-29(24)42-30)31(36)35-13-11-34(12-14-35)19-22-6-9-26-28(16-22)41-20-40-26/h5-10,15-18H,4,11-14,19-20H2,1-3H3/p+1