3-[6-(dimethylamino)-1,2,3,4-tetrahydroisoquinolin-1-yl]propane-1-sulfonic acid

Systemtic Name: 3-[6-(dimethylamino)-1,2,3,4-tetrahydroisoquinolin-1-yl]propane-1-sulfonic acid Openeye Name: 3-[6-(dimethylamino)-1,2,3,4-tetrahydroisoquinolin-1-yl]propane-1-sulfonic acid CAS Name: 3-[6-(dimethylamino)-1,2,3,4-tetrahydroisoquinolin-1-yl]-1-propanesulfonic acid IUPAC Name: 3-[6-(dimethylamino)-1,2,3,4-tetrahydroisoquinolin-1-yl]propane-1-sulfonic acid Traditional Name: 3-[6-(dimethylamino)-1,2,3,4-tetrahydroisoquinolin-1-yl]propane-1-sulfonic acid Formula: C14H22N2O3S MolecularWeight: 298.40108

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1)C(NCC2)CCCS(=O)(=O)O

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)C(NCC2)CCCS(=O)(=O)O

InChI

InChI=1S/C14H22N2O3S/c1-16(2)12-5-6-13-11(10-12)7-8-15-14(13)4-3-9-20(17,18)19/h5-6,10,14-15H,3-4,7-9H2,1-2H3,(H,17,18,19)