N-methyl-3-oxidanylidene-N-(phenylmethyl)-2-piperidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide

Systemtic Name: N-methyl-3-oxidanylidene-N-(phenylmethyl)-2-piperidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide Openeye Name: N-benzyl-N-methyl-3-oxo-2-piperidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide CAS Name: N-methyl-3-oxo-N-(phenylmethyl)-2-(1-piperidin-1-iumyl)-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: N-benzyl-N-methyl-3-oxo-2-piperidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide Traditional Name: N-benzyl-3-keto-N-methyl-2-piperidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide Formula: C22H26N3O2S+ MolecularWeight: 396.52574

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)SC(C(=O)N3)[NH+]4CCCCC4

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)SC(C(=O)N3)[NH+]4CCCCC4

InChI

InChI=1S/C22H25N3O2S/c1-24(15-16-8-4-2-5-9-16)21(27)17-10-11-19-18(14-17)23-20(26)22(28-19)25-12-6-3-7-13-25/h2,4-5,8-11,14,22H,3,6-7,12-13,15H2,1H3,(H,23,26)/p+1