5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)pentanoate

Systemtic Name: 5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)pentanoate Openeye Name: 5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)pentanoate CAS Name: 5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)pentanoate IUPAC Name: 5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)pentanoate Traditional Name: 5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)valerate Formula: C14H19NO2 MolecularWeight: 233.30616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO2/c16-14(17)7-3-4-9-15-10-8-12-5-1-2-6-13(12)11-15/h1-2,5-6H,3-4,7-11H2,(H,16,17)