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

Systemtic Name: methyl-di(propan-2-yl)-(6H-pyrido[3,2-b][1,4]benzothiazepin-5-ylcarbonyloxymethyl)azanium Openeye Name: diisopropyl-methyl-(6H-pyrido[3,2-b][1,4]benzothiazepine-5-carbonyloxymethyl)ammonium CAS Name: methyl-[[oxo(6H-pyrido[3,2-b][1,4]benzothiazepin-5-yl)methoxy]methyl]-di(propan-2-yl)ammonium IUPAC Name: methyl-di(propan-2-yl)-(6H-pyrido[3,2-b][1,4]benzothiazepine-5-carbonyloxymethyl)azanium Traditional Name: diisopropyl-methyl-(6H-pyrido[3,2-b][1,4]benzothiazepine-5-carbonyloxymethyl)ammonium Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N3O2S/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/q+1