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

Systemtic Name: N-[(4-ethylphenyl)methyl]-3-oxidanylidene-2-piperidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide Openeye Name: N-[(4-ethylphenyl)methyl]-3-oxo-2-piperidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide CAS Name: N-[(4-ethylphenyl)methyl]-3-oxo-2-(1-piperidin-1-iumyl)-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: N-[(4-ethylphenyl)methyl]-3-oxo-2-piperidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide Traditional Name: N-(4-ethylbenzyl)-3-keto-2-piperidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide Formula: C23H28N3O2S+ MolecularWeight: 410.55232

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)SC(C(=O)N3)[NH+]4CCCCC4

Isomeric SMILES

CCC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)SC(C(=O)N3)[NH+]4CCCCC4

InChI

InChI=1S/C23H27N3O2S/c1-2-16-6-8-17(9-7-16)15-24-21(27)18-10-11-20-19(14-18)25-22(28)23(29-20)26-12-4-3-5-13-26/h6-11,14,23H,2-5,12-13,15H2,1H3,(H,24,27)(H,25,28)/p+1