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

Systemtic Name: 3-(3,4-dihydroisoquinolin-2-ium-2-yl)propane-1,2-disulfonic acid Openeye Name: 3-(3,4-dihydroisoquinolin-2-ium-2-yl)propane-1,2-disulfonic acid CAS Name: 3-(3,4-dihydroisoquinolin-2-ium-2-yl)propane-1,2-disulfonic acid IUPAC Name: 3-(3,4-dihydroisoquinolin-2-ium-2-yl)propane-1,2-disulfonic acid Traditional Name: 3-(3,4-dihydroisoquinolin-2-ium-2-yl)propane-1,2-disulfonic acid Formula: C12H16NO6S2+ MolecularWeight: 334.38854

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](=CC2=CC=CC=C21)CC(CS(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1C[N+](=CC2=CC=CC=C21)CC(CS(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C12H15NO6S2/c14-20(15,16)9-12(21(17,18)19)8-13-6-5-10-3-1-2-4-11(10)7-13/h1-4,7,12H,5-6,8-9H2,(H-,14,15,16,17,18,19)/p+1