3-(3,4-dihydro-1H-isoquinolin-2-yl)propane-1-sulfonic acid

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)propane-1-sulfonic acid Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)propane-1-sulfonic acid CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-propanesulfonic acid IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)propane-1-sulfonic acid Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)propane-1-sulfonic acid Formula: C12H17NO3S MolecularWeight: 255.33328

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CCCS(=O)(=O)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CCCS(=O)(=O)O

InChI

InChI=1S/C12H17NO3S/c14-17(15,16)9-3-7-13-8-6-11-4-1-2-5-12(11)10-13/h1-2,4-5H,3,6-10H2,(H,14,15,16)