N-[3-(3-methylpiperidin-1-ium-1-yl)propyl]-3-oxidanylidene-2-(phenylmethylidene)-4H-1,4-benzothiazine-6-carboxamide

Systemtic Name: N-[3-(3-methylpiperidin-1-ium-1-yl)propyl]-3-oxidanylidene-2-(phenylmethylidene)-4H-1,4-benzothiazine-6-carboxamide Openeye Name: 2-benzylidene-N-[3-(3-methylpiperidin-1-ium-1-yl)propyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide CAS Name: N-[3-(3-methyl-1-piperidin-1-iumyl)propyl]-3-oxo-2-(phenylmethylene)-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: 2-benzylidene-N-[3-(3-methylpiperidin-1-ium-1-yl)propyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide Traditional Name: 2-benzal-3-keto-N-[3-(3-methylpiperidin-1-ium-1-yl)propyl]-4H-1,4-benzothiazine-6-carboxamide Formula: C25H30N3O2S+ MolecularWeight: 436.5896

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCCNC(=O)C2=CC3=C(C=C2)SC(=CC4=CC=CC=C4)C(=O)N3

Isomeric SMILES

CC1CCC[NH+](C1)CCCNC(=O)C2=CC3=C(C=C2)SC(=CC4=CC=CC=C4)C(=O)N3

InChI

InChI=1S/C25H29N3O2S/c1-18-7-5-13-28(17-18)14-6-12-26-24(29)20-10-11-22-21(16-20)27-25(30)23(31-22)15-19-8-3-2-4-9-19/h2-4,8-11,15-16,18H,5-7,12-14,17H2,1H3,(H,26,29)(H,27,30)/p+1