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

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-4-methyl-2-[(3-methylphenyl)methylidene]-1,4-benzothiazin-3-one Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-4-methyl-2-(m-tolylmethylene)-1,4-benzothiazin-3-one CAS Name: 6-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-4-methyl-2-[(3-methylphenyl)methylidene]-1,4-benzothiazin-3-one IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-4-methyl-2-[(3-methylphenyl)methylidene]-1,4-benzothiazin-3-one Traditional Name: 4-methyl-2-(3-methylbenzylidene)-6-(4-piperonylpiperazin-4-ium-1-carbonyl)-1,4-benzothiazin-3-one Formula: C30H30N3O4S+ MolecularWeight: 528.6419

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=C2C(=O)N(C3=C(S2)C=CC(=C3)C(=O)N4CC[NH+](CC4)CC5=CC6=C(C=C5)OCO6)C

Isomeric SMILES

CC1=CC=CC(=C1)C=C2C(=O)N(C3=C(S2)C=CC(=C3)C(=O)N4CC[NH+](CC4)CC5=CC6=C(C=C5)OCO6)C

InChI

InChI=1S/C30H29N3O4S/c1-20-4-3-5-21(14-20)16-28-30(35)31(2)24-17-23(7-9-27(24)38-28)29(34)33-12-10-32(11-13-33)18-22-6-8-25-26(15-22)37-19-36-25/h3-9,14-17H,10-13,18-19H2,1-2H3/p+1