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

Systemtic Name: 2-(3,4-dichlorophenyl)ethyl-dimethyl-[2-(4-oxidanylidene-1,5-benzothiazepin-5-yl)ethyl]azanium Openeye Name: 2-(3,4-dichlorophenyl)ethyl-dimethyl-[2-(4-oxo-1,5-benzothiazepin-5-yl)ethyl]ammonium CAS Name: 2-(3,4-dichlorophenyl)ethyl-dimethyl-[2-(4-oxo-1,5-benzothiazepin-5-yl)ethyl]ammonium IUPAC Name: 2-(3,4-dichlorophenyl)ethyl-dimethyl-[2-(4-oxo-1,5-benzothiazepin-5-yl)ethyl]azanium Traditional Name: 2-(3,4-dichlorophenyl)ethyl-[2-(4-keto-1,5-benzothiazepin-5-yl)ethyl]-dimethyl-ammonium Formula: C21H23Cl2N2OS+ MolecularWeight: 422.39112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23Cl2N2OS/c1-25(2,12-9-16-7-8-17(22)18(23)15-16)13-11-24-19-5-3-4-6-20(19)27-14-10-21(24)26/h3-8,10,14-15H,9,11-13H2,1-2H3/q+1