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

Systemtic Name: 4-(3,4-dihydroisoquinolin-2-ium-2-yl)butane-1,2-disulfonic acid Openeye Name: 4-(3,4-dihydroisoquinolin-2-ium-2-yl)butane-1,2-disulfonic acid CAS Name: 4-(3,4-dihydroisoquinolin-2-ium-2-yl)butane-1,2-disulfonic acid IUPAC Name: 4-(3,4-dihydroisoquinolin-2-ium-2-yl)butane-1,2-disulfonic acid Traditional Name: 4-(3,4-dihydroisoquinolin-2-ium-2-yl)butane-1,2-disulfonic acid Formula: C13H18NO6S2+ MolecularWeight: 348.41512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO6S2/c15-21(16,17)10-13(22(18,19)20)6-8-14-7-5-11-3-1-2-4-12(11)9-14/h1-4,9,13H,5-8,10H2,(H-,15,16,17,18,19,20)/p+1