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

Systemtic Name: N-butyl-3-oxidanylidene-2-pyrrolidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide Openeye Name: N-butyl-3-oxo-2-pyrrolidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide CAS Name: N-butyl-3-oxo-2-(1-pyrrolidin-1-iumyl)-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: N-butyl-3-oxo-2-pyrrolidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide Traditional Name: N-butyl-3-keto-2-pyrrolidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide Formula: C17H24N3O2S+ MolecularWeight: 334.45636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O2S/c1-2-3-8-18-15(21)12-6-7-14-13(11-12)19-16(22)17(23-14)20-9-4-5-10-20/h6-7,11,17H,2-5,8-10H2,1H3,(H,18,21)(H,19,22)/p+1