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

Systemtic Name: methyl-[2-[(3-oxidanylidene-2-piperidin-1-ium-1-yl-4H-1,4-benzothiazin-6-yl)carbonylamino]ethyl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[2-[(3-oxo-2-piperidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carbonyl)amino]ethyl]ammonium CAS Name: methyl-[2-[[oxo-[3-oxo-2-(1-piperidin-1-iumyl)-4H-1,4-benzothiazin-6-yl]methyl]amino]ethyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[2-[(3-oxo-2-piperidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carbonyl)amino]ethyl]azanium Traditional Name: benzyl-[2-[(3-keto-2-piperidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carbonyl)amino]ethyl]-methyl-ammonium Formula: C24H32N4O2S+2 MolecularWeight: 440.60148

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCNC(=O)C1=CC2=C(C=C1)SC(C(=O)N2)[NH+]3CCCCC3)CC4=CC=CC=C4

Isomeric SMILES

C[NH+](CCNC(=O)C1=CC2=C(C=C1)SC(C(=O)N2)[NH+]3CCCCC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H30N4O2S/c1-27(17-18-8-4-2-5-9-18)15-12-25-22(29)19-10-11-21-20(16-19)26-23(30)24(31-21)28-13-6-3-7-14-28/h2,4-5,8-11,16,24H,3,6-7,12-15,17H2,1H3,(H,25,29)(H,26,30)/p+2