2-(2-methoxyphenyl)ethyl-dimethyl-[2-(4-oxidanylidene-1,5-benzothiazepin-5-yl)ethyl]azanium iodide

Systemtic Name: 2-(2-methoxyphenyl)ethyl-dimethyl-[2-(4-oxidanylidene-1,5-benzothiazepin-5-yl)ethyl]azanium iodide Openeye Name: 2-(2-methoxyphenyl)ethyl-dimethyl-[2-(4-oxo-1,5-benzothiazepin-5-yl)ethyl]ammonium iodide CAS Name: 2-(2-methoxyphenyl)ethyl-dimethyl-[2-(4-oxo-1,5-benzothiazepin-5-yl)ethyl]ammonium iodide IUPAC Name: 2-(2-methoxyphenyl)ethyl-dimethyl-[2-(4-oxo-1,5-benzothiazepin-5-yl)ethyl]azanium iodide Traditional Name: 2-(4-keto-1,5-benzothiazepin-5-yl)ethyl-[2-(2-methoxyphenyl)ethyl]-dimethyl-ammonium iodide Formula: C22H27IN2O2S MolecularWeight: 510.43145

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCC1=CC=CC=C1OC)CCN2C(=O)C=CSC3=CC=CC=C32.[I-]

Isomeric SMILES

C[N+](C)(CCC1=CC=CC=C1OC)CCN2C(=O)C=CSC3=CC=CC=C32.[I-]

InChI

InChI=1S/C22H27N2O2S.HI/c1-24(2,15-12-18-8-4-6-10-20(18)26-3)16-14-23-19-9-5-7-11-21(19)27-17-13-22(23)25;/h4-11,13,17H,12,14-16H2,1-3H3;1H/q+1;/p-1