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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O2S/c1-3-23(4-2)11-7-10-21-18(25)15-8-9-17-16(14-15)22-19(26)20(27-17)24-12-5-6-13-24/h8-9,14,20H,3-7,10-13H2,1-2H3,(H,21,25)(H,22,26)/p+2