3-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propoxy]benzoate

Systemtic Name: 3-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propoxy]benzoate Openeye Name: 3-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propoxy]benzoate CAS Name: 3-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propoxy]benzoate IUPAC Name: 3-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propoxy]benzoate Traditional Name: 3-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propoxy]benzoate Formula: C19H21NO3 MolecularWeight: 311.37494

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CCCOC3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CCCOC3=CC=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C19H21NO3/c21-19(22)16-7-3-8-18(13-16)23-12-4-10-20-11-9-15-5-1-2-6-17(15)14-20/h1-3,5-8,13H,4,9-12,14H2,(H,21,22)