2-[(3,4-dimethoxyphenyl)methylidene]-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-4H-1,4-benzothiazin-3-one

Systemtic Name: 2-[(3,4-dimethoxyphenyl)methylidene]-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-4H-1,4-benzothiazin-3-one Openeye Name: 6-(4-benzylpiperazin-4-ium-1-carbonyl)-2-[(3,4-dimethoxyphenyl)methylene]-4H-1,4-benzothiazin-3-one CAS Name: 2-[(3,4-dimethoxyphenyl)methylidene]-6-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-4H-1,4-benzothiazin-3-one IUPAC Name: 6-(4-benzylpiperazin-4-ium-1-carbonyl)-2-[(3,4-dimethoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one Traditional Name: 6-(4-benzylpiperazin-4-ium-1-carbonyl)-2-veratrylidene-4H-1,4-benzothiazin-3-one Formula: C29H30N3O4S+ MolecularWeight: 516.6312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C2C(=O)NC3=C(S2)C=CC(=C3)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C=C2C(=O)NC3=C(S2)C=CC(=C3)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5)OC

InChI

InChI=1S/C29H29N3O4S/c1-35-24-10-8-21(16-25(24)36-2)17-27-28(33)30-23-18-22(9-11-26(23)37-27)29(34)32-14-12-31(13-15-32)19-20-6-4-3-5-7-20/h3-11,16-18H,12-15,19H2,1-2H3,(H,30,33)/p+1