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

Systemtic Name: N-[(2-ethylpyrrolidin-1-ium-1-yl)methyl]-3-oxidanylidene-2-(phenylmethylidene)-4H-1,4-benzothiazine-6-carboxamide Openeye Name: 2-benzylidene-N-[(2-ethylpyrrolidin-1-ium-1-yl)methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide CAS Name: N-[(2-ethyl-1-pyrrolidin-1-iumyl)methyl]-3-oxo-2-(phenylmethylene)-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: 2-benzylidene-N-[(2-ethylpyrrolidin-1-ium-1-yl)methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide Traditional Name: 2-benzal-N-[(2-ethylpyrrolidin-1-ium-1-yl)methyl]-3-keto-4H-1,4-benzothiazine-6-carboxamide Formula: C23H26N3O2S+ MolecularWeight: 408.53644

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC[NH+]1CNC(=O)C2=CC3=C(C=C2)SC(=CC4=CC=CC=C4)C(=O)N3

Isomeric SMILES

CCC1CCC[NH+]1CNC(=O)C2=CC3=C(C=C2)SC(=CC4=CC=CC=C4)C(=O)N3

InChI

InChI=1S/C23H25N3O2S/c1-2-18-9-6-12-26(18)15-24-22(27)17-10-11-20-19(14-17)25-23(28)21(29-20)13-16-7-4-3-5-8-16/h3-5,7-8,10-11,13-14,18H,2,6,9,12,15H2,1H3,(H,24,27)(H,25,28)/p+1