3-oxidanylidene-N-propan-2-yl-2-pyrrolidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide

Systemtic Name: 3-oxidanylidene-N-propan-2-yl-2-pyrrolidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide Openeye Name: N-isopropyl-3-oxo-2-pyrrolidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide CAS Name: 3-oxo-N-propan-2-yl-2-(1-pyrrolidin-1-iumyl)-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: 3-oxo-N-propan-2-yl-2-pyrrolidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide Traditional Name: N-isopropyl-3-keto-2-pyrrolidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide Formula: C16H22N3O2S+ MolecularWeight: 320.42978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC2=C(C=C1)SC(C(=O)N2)[NH+]3CCCC3

Isomeric SMILES

CC(C)NC(=O)C1=CC2=C(C=C1)SC(C(=O)N2)[NH+]3CCCC3

InChI

InChI=1S/C16H21N3O2S/c1-10(2)17-14(20)11-5-6-13-12(9-11)18-15(21)16(22-13)19-7-3-4-8-19/h5-6,9-10,16H,3-4,7-8H2,1-2H3,(H,17,20)(H,18,21)/p+1