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

Systemtic Name: dimethyl-[2-[(3-oxidanylidene-2-piperidin-1-ium-1-yl-4H-1,4-benzothiazin-6-yl)carbonylamino]ethyl]azanium Openeye Name: dimethyl-[2-[(3-oxo-2-piperidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carbonyl)amino]ethyl]ammonium CAS Name: dimethyl-[2-[[oxo-[3-oxo-2-(1-piperidin-1-iumyl)-4H-1,4-benzothiazin-6-yl]methyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[(3-oxo-2-piperidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carbonyl)amino]ethyl]azanium Traditional Name: 2-[(3-keto-2-piperidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carbonyl)amino]ethyl-dimethyl-ammonium Formula: C18H28N4O2S+2 MolecularWeight: 364.50552

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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+]3CCCCC3

Isomeric SMILES

C[NH+](C)CCNC(=O)C1=CC2=C(C=C1)SC(C(=O)N2)[NH+]3CCCCC3

InChI

InChI=1S/C18H26N4O2S/c1-21(2)11-8-19-16(23)13-6-7-15-14(12-13)20-17(24)18(25-15)22-9-4-3-5-10-22/h6-7,12,18H,3-5,8-11H2,1-2H3,(H,19,23)(H,20,24)/p+2