2-[2-(4-chlorophenyl)sulfonylethyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 2-[2-(4-chlorophenyl)sulfonylethyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[2-(4-chlorophenyl)sulfonylethyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[2-(4-chlorophenyl)sulfonylethyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[2-(4-chlorophenyl)sulfonylethyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-[2-(4-chlorophenyl)sulfonylethyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C19H23ClNO4S+ MolecularWeight: 396.90822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)CCS(=O)(=O)C3=CC=C(C=C3)Cl)OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)CCS(=O)(=O)C3=CC=C(C=C3)Cl)OC

InChI

InChI=1S/C19H22ClNO4S/c1-24-18-11-14-7-8-21(13-15(14)12-19(18)25-2)9-10-26(22,23)17-5-3-16(20)4-6-17/h3-6,11-12H,7-10,13H2,1-2H3/p+1