3-(3,4-dihydroisoquinolin-2-ium-2-yl)propane-1-sulfonate

Systemtic Name: 3-(3,4-dihydroisoquinolin-2-ium-2-yl)propane-1-sulfonate Openeye Name: 3-(3,4-dihydroisoquinolin-2-ium-2-yl)propane-1-sulfonate CAS Name: 3-(3,4-dihydroisoquinolin-2-ium-2-yl)-1-propanesulfonate IUPAC Name: 3-(3,4-dihydroisoquinolin-2-ium-2-yl)propane-1-sulfonate Traditional Name: 3-(3,4-dihydroisoquinolin-2-ium-2-yl)propane-1-sulfonate Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO3S/c14-17(15,16)9-3-7-13-8-6-11-4-1-2-5-12(11)10-13/h1-2,4-5,10H,3,6-9H2