2-(phenylmethylidene)-6-(4-piperidin-1-ium-1-ylpiperidin-1-yl)carbonyl-4H-1,4-benzothiazin-3-one

Systemtic Name: 2-(phenylmethylidene)-6-(4-piperidin-1-ium-1-ylpiperidin-1-yl)carbonyl-4H-1,4-benzothiazin-3-one Openeye Name: 2-benzylidene-6-(4-piperidin-1-ium-1-ylpiperidine-1-carbonyl)-4H-1,4-benzothiazin-3-one CAS Name: 6-[oxo-[4-(1-piperidin-1-iumyl)-1-piperidinyl]methyl]-2-(phenylmethylene)-4H-1,4-benzothiazin-3-one IUPAC Name: 2-benzylidene-6-(4-piperidin-1-ium-1-ylpiperidine-1-carbonyl)-4H-1,4-benzothiazin-3-one Traditional Name: 2-benzal-6-(4-piperidin-1-ium-1-ylpiperidine-1-carbonyl)-4H-1,4-benzothiazin-3-one Formula: C26H30N3O2S+ MolecularWeight: 448.6003

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2CCN(CC2)C(=O)C3=CC4=C(C=C3)SC(=CC5=CC=CC=C5)C(=O)N4

Isomeric SMILES

C1CC[NH+](CC1)C2CCN(CC2)C(=O)C3=CC4=C(C=C3)SC(=CC5=CC=CC=C5)C(=O)N4

InChI

InChI=1S/C26H29N3O2S/c30-25-24(17-19-7-3-1-4-8-19)32-23-10-9-20(18-22(23)27-25)26(31)29-15-11-21(12-16-29)28-13-5-2-6-14-28/h1,3-4,7-10,17-18,21H,2,5-6,11-16H2,(H,27,30)/p+1