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

Systemtic Name: 4-(3,4-dihydroisoquinolin-2-ium-2-yl)butane-1-sulfonic acid Openeye Name: 4-(3,4-dihydroisoquinolin-2-ium-2-yl)butane-1-sulfonic acid CAS Name: 4-(3,4-dihydroisoquinolin-2-ium-2-yl)-1-butanesulfonic acid IUPAC Name: 4-(3,4-dihydroisoquinolin-2-ium-2-yl)butane-1-sulfonic acid Traditional Name: 4-(3,4-dihydroisoquinolin-2-ium-2-yl)butane-1-sulfonic acid Formula: C13H18NO3S+ MolecularWeight: 268.35192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3S/c15-18(16,17)10-4-3-8-14-9-7-12-5-1-2-6-13(12)11-14/h1-2,5-6,11H,3-4,7-10H2/p+1