2-(3-methoxyphenyl)ethyl-dimethyl-[2-(4-oxidanylidene-1,5-benzothiazepin-5-yl)ethyl]azanium iodide

Systemtic Name: 2-(3-methoxyphenyl)ethyl-dimethyl-[2-(4-oxidanylidene-1,5-benzothiazepin-5-yl)ethyl]azanium iodide Openeye Name: 2-(3-methoxyphenyl)ethyl-dimethyl-[2-(4-oxo-1,5-benzothiazepin-5-yl)ethyl]ammonium iodide CAS Name: 2-(3-methoxyphenyl)ethyl-dimethyl-[2-(4-oxo-1,5-benzothiazepin-5-yl)ethyl]ammonium iodide IUPAC Name: 2-(3-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-(3-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=C1)OC)CCN2C(=O)C=CSC3=CC=CC=C32.[I-]

Isomeric SMILES

C[N+](C)(CCC1=CC(=CC=C1)OC)CCN2C(=O)C=CSC3=CC=CC=C32.[I-]

InChI

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