2-[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanoylamino]ethanoate

Systemtic Name: 2-[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanoylamino]ethanoate Openeye Name: 2-[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanoylamino]acetate CAS Name: 2-[[1-oxo-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]amino]acetate IUPAC Name: 2-[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanoylamino]acetate Traditional Name: 2-[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanoylamino]acetate Formula: C15H20N2O3 MolecularWeight: 276.3309

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O3/c18-14(16-10-15(19)20)6-3-8-17-9-7-12-4-1-2-5-13(12)11-17/h1-2,4-5H,3,6-11H2,(H,16,18)(H,19,20)