4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butane-1-sulfonate

Systemtic Name: 4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butane-1-sulfonate Openeye Name: 4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butane-1-sulfonate CAS Name: 4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-butanesulfonate IUPAC Name: 4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butane-1-sulfonate Traditional Name: 4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butane-1-sulfonate Formula: C13H19NO3S MolecularWeight: 269.35986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO3S/c15-18(16,17)10-4-3-8-14-9-7-12-5-1-2-6-13(12)11-14/h1-2,5-6H,3-4,7-11H2,(H,15,16,17)