methyl-di(propan-2-yl)-(6H-pyrido[3,2-b][1,4]benzothiazepin-5-ylcarbonyloxymethyl)azanium iodide

Systemtic Name: methyl-di(propan-2-yl)-(6H-pyrido[3,2-b][1,4]benzothiazepin-5-ylcarbonyloxymethyl)azanium iodide Openeye Name: diisopropyl-methyl-(6H-pyrido[3,2-b][1,4]benzothiazepine-5-carbonyloxymethyl)ammonium iodide CAS Name: methyl-[[oxo(6H-pyrido[3,2-b][1,4]benzothiazepin-5-yl)methoxy]methyl]-di(propan-2-yl)ammonium iodide IUPAC Name: methyl-di(propan-2-yl)-(6H-pyrido[3,2-b][1,4]benzothiazepine-5-carbonyloxymethyl)azanium iodide Traditional Name: diisopropyl-methyl-(6H-pyrido[3,2-b][1,4]benzothiazepine-5-carbonyloxymethyl)ammonium iodide Formula: C21H28IN3O2S MolecularWeight: 513.43539

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+](C)(COC(=O)N1CC2=CC=CC=C2SC3=C1N=CC=C3)C(C)C.[I-]

Isomeric SMILES

CC(C)[N+](C)(COC(=O)N1CC2=CC=CC=C2SC3=C1N=CC=C3)C(C)C.[I-]

InChI

InChI=1S/C21H28N3O2S.HI/c1-15(2)24(5,16(3)4)14-26-21(25)23-13-17-9-6-7-10-18(17)27-19-11-8-12-22-20(19)23;/h6-12,15-16H,13-14H2,1-5H3;1H/q+1;/p-1