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

Systemtic Name: butyl-methyl-[2-[(3-oxidanylidene-2-piperidin-1-ium-1-yl-4H-1,4-benzothiazin-6-yl)carbonylamino]ethyl]azanium Openeye Name: butyl-methyl-[2-[(3-oxo-2-piperidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carbonyl)amino]ethyl]ammonium CAS Name: butyl-methyl-[2-[[oxo-[3-oxo-2-(1-piperidin-1-iumyl)-4H-1,4-benzothiazin-6-yl]methyl]amino]ethyl]ammonium IUPAC Name: butyl-methyl-[2-[(3-oxo-2-piperidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carbonyl)amino]ethyl]azanium Traditional Name: butyl-[2-[(3-keto-2-piperidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carbonyl)amino]ethyl]-methyl-ammonium Formula: C21H34N4O2S+2 MolecularWeight: 406.58526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O2S/c1-3-4-11-24(2)14-10-22-19(26)16-8-9-18-17(15-16)23-20(27)21(28-18)25-12-6-5-7-13-25/h8-9,15,21H,3-7,10-14H2,1-2H3,(H,22,26)(H,23,27)/p+2