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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C[N+]1=CC2=CC=CC=C2CC1)S(=O)(=O)O

Isomeric SMILES

CCC(C[N+]1=CC2=CC=CC=C2CC1)S(=O)(=O)O

InChI

InChI=1S/C13H17NO3S/c1-2-13(18(15,16)17)10-14-8-7-11-5-3-4-6-12(11)9-14/h3-6,9,13H,2,7-8,10H2,1H3/p+1