1,4-dihydroisoquinolin-2-ium; propane-1-sulfonate

Systemtic Name: 1,4-dihydroisoquinolin-2-ium; propane-1-sulfonate Openeye Name: 1,4-dihydroisoquinolin-2-ium; propane-1-sulfonate CAS Name: 1,4-dihydroisoquinolin-2-ium; 1-propanesulfonate IUPAC Name: 1,4-dihydroisoquinolin-2-ium; propane-1-sulfonate Traditional Name: 1,4-dihydroisoquinolin-2-ium; propane-1-sulfonate Formula: C12H17NO3S MolecularWeight: 255.33328

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)[O-].C1C=[NH+]CC2=CC=CC=C21

Isomeric SMILES

CCCS(=O)(=O)[O-].C1C=[NH+]CC2=CC=CC=C21

InChI

InChI=1S/C9H9N.C3H8O3S/c1-2-4-9-7-10-6-5-8(9)3-1;1-2-3-7(4,5)6/h1-4,6H,5,7H2;2-3H2,1H3,(H,4,5,6)