6-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-4H-1,4-benzothiazin-3-one

Systemtic Name: 6-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-4H-1,4-benzothiazin-3-one Openeye Name: 6-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]-4H-1,4-benzothiazin-3-one CAS Name: 6-[[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-4H-1,4-benzothiazin-3-one IUPAC Name: 6-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]-4H-1,4-benzothiazin-3-one Traditional Name: 6-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]-4H-1,4-benzothiazin-3-one Formula: C21H21N4O2S2+ MolecularWeight: 425.54704

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)C4=CC5=C(C=C4)SCC(=O)N5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)C4=CC5=C(C=C4)SCC(=O)N5

InChI

InChI=1S/C21H20N4O2S2/c26-19-13-28-17-6-5-14(11-16(17)22-19)21(27)25-9-7-24(8-10-25)12-20-23-15-3-1-2-4-18(15)29-20/h1-6,11H,7-10,12-13H2,(H,22,26)/p+1