4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanoate

Systemtic Name: 4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanoate Openeye Name: 4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanoate CAS Name: 4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanoate IUPAC Name: 4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanoate Traditional Name: 4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyrate Formula: C13H17NO2 MolecularWeight: 219.27958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO2/c15-13(16)6-3-8-14-9-7-11-4-1-2-5-12(11)10-14/h1-2,4-5H,3,6-10H2,(H,15,16)