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

Systemtic Name: 2-(3,5-dimethoxyphenyl)ethyl-dimethyl-[2-(4-oxidanylidene-1,5-benzothiazepin-5-yl)ethyl]azanium Openeye Name: 2-(3,5-dimethoxyphenyl)ethyl-dimethyl-[2-(4-oxo-1,5-benzothiazepin-5-yl)ethyl]ammonium CAS Name: 2-(3,5-dimethoxyphenyl)ethyl-dimethyl-[2-(4-oxo-1,5-benzothiazepin-5-yl)ethyl]ammonium IUPAC Name: 2-(3,5-dimethoxyphenyl)ethyl-dimethyl-[2-(4-oxo-1,5-benzothiazepin-5-yl)ethyl]azanium Traditional Name: 2-(3,5-dimethoxyphenyl)ethyl-[2-(4-keto-1,5-benzothiazepin-5-yl)ethyl]-dimethyl-ammonium Formula: C23H29N2O3S+ MolecularWeight: 413.55296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N2O3S/c1-25(2,12-9-18-15-19(27-3)17-20(16-18)28-4)13-11-24-21-7-5-6-8-22(21)29-14-10-23(24)26/h5-8,10,14-17H,9,11-13H2,1-4H3/q+1