dimethyl-[2-[(3-oxidanylidene-2-pyrrolidin-1-ium-1-yl-4H-1,4-benzothiazin-6-yl)carbonylamino]ethyl]azanium

Systemtic Name: dimethyl-[2-[(3-oxidanylidene-2-pyrrolidin-1-ium-1-yl-4H-1,4-benzothiazin-6-yl)carbonylamino]ethyl]azanium Openeye Name: dimethyl-[2-[(3-oxo-2-pyrrolidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carbonyl)amino]ethyl]ammonium CAS Name: dimethyl-[2-[[oxo-[3-oxo-2-(1-pyrrolidin-1-iumyl)-4H-1,4-benzothiazin-6-yl]methyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[(3-oxo-2-pyrrolidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carbonyl)amino]ethyl]azanium Traditional Name: 2-[(3-keto-2-pyrrolidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carbonyl)amino]ethyl-dimethyl-ammonium Formula: C17H26N4O2S+2 MolecularWeight: 350.47894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O2S/c1-20(2)10-7-18-15(22)12-5-6-14-13(11-12)19-16(23)17(24-14)21-8-3-4-9-21/h5-6,11,17H,3-4,7-10H2,1-2H3,(H,18,22)(H,19,23)/p+2