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

Systemtic Name: 2-[(4-methoxyphenyl)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-[(4-methoxyphenyl)methylene]-4H-1,4-benzothiazin-3-one CAS Name: 2-[(4-methoxyphenyl)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-[(4-methoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one Traditional Name: 6-(4-benzylpiperazin-4-ium-1-carbonyl)-2-p-anisylidene-4H-1,4-benzothiazin-3-one Formula: C28H28N3O3S+ MolecularWeight: 486.60522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27N3O3S/c1-34-23-10-7-20(8-11-23)17-26-27(32)29-24-18-22(9-12-25(24)35-26)28(33)31-15-13-30(14-16-31)19-21-5-3-2-4-6-21/h2-12,17-18H,13-16,19H2,1H3,(H,29,32)/p+1