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

Systemtic Name: methyl-[2-[(2-morpholin-4-ium-4-yl-3-oxidanylidene-4H-1,4-benzothiazin-6-yl)carbonylamino]ethyl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[2-[(2-morpholin-4-ium-4-yl-3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]ethyl]ammonium CAS Name: methyl-[2-[[[2-(4-morpholin-4-iumyl)-3-oxo-4H-1,4-benzothiazin-6-yl]-oxomethyl]amino]ethyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[2-[(2-morpholin-4-ium-4-yl-3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]ethyl]azanium Traditional Name: benzyl-[2-[(3-keto-2-morpholin-4-ium-4-yl-4H-1,4-benzothiazine-6-carbonyl)amino]ethyl]-methyl-ammonium Formula: C23H30N4O3S+2 MolecularWeight: 442.5743

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCNC(=O)C1=CC2=C(C=C1)SC(C(=O)N2)[NH+]3CCOCC3)CC4=CC=CC=C4

Isomeric SMILES

C[NH+](CCNC(=O)C1=CC2=C(C=C1)SC(C(=O)N2)[NH+]3CCOCC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H28N4O3S/c1-26(16-17-5-3-2-4-6-17)10-9-24-21(28)18-7-8-20-19(15-18)25-22(29)23(31-20)27-11-13-30-14-12-27/h2-8,15,23H,9-14,16H2,1H3,(H,24,28)(H,25,29)/p+2