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

Systemtic Name: 4-(1,2,3,4-tetrahydroisoquinolin-1-yl)butane-1-sulfonic acid Openeye Name: 4-(1,2,3,4-tetrahydroisoquinolin-1-yl)butane-1-sulfonic acid CAS Name: 4-(1,2,3,4-tetrahydroisoquinolin-1-yl)-1-butanesulfonic acid IUPAC Name: 4-(1,2,3,4-tetrahydroisoquinolin-1-yl)butane-1-sulfonic acid Traditional Name: 4-(1,2,3,4-tetrahydroisoquinolin-1-yl)butane-1-sulfonic acid Formula: C13H19NO3S MolecularWeight: 269.35986

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(C2=CC=CC=C21)CCCCS(=O)(=O)O

Isomeric SMILES

C1CNC(C2=CC=CC=C21)CCCCS(=O)(=O)O

InChI

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