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

Systemtic Name: butyl-methyl-[2-[(3-oxidanylidene-2-pyrrolidin-1-ium-1-yl-4H-1,4-benzothiazin-6-yl)carbonylamino]ethyl]azanium Openeye Name: butyl-methyl-[2-[(3-oxo-2-pyrrolidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carbonyl)amino]ethyl]ammonium CAS Name: butyl-methyl-[2-[[oxo-[3-oxo-2-(1-pyrrolidin-1-iumyl)-4H-1,4-benzothiazin-6-yl]methyl]amino]ethyl]ammonium IUPAC Name: butyl-methyl-[2-[(3-oxo-2-pyrrolidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carbonyl)amino]ethyl]azanium Traditional Name: butyl-[2-[(3-keto-2-pyrrolidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carbonyl)amino]ethyl]-methyl-ammonium Formula: C20H32N4O2S+2 MolecularWeight: 392.55868

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+]3CCCC3

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O2S/c1-3-4-10-23(2)13-9-21-18(25)15-7-8-17-16(14-15)22-19(26)20(27-17)24-11-5-6-12-24/h7-8,14,20H,3-6,9-13H2,1-2H3,(H,21,25)(H,22,26)/p+2