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

Systemtic Name: 4-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propoxy]benzoate Openeye Name: 4-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propoxy]benzoate CAS Name: 4-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propoxy]benzoate IUPAC Name: 4-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propoxy]benzoate Traditional Name: 4-[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=C(C=C3)C(=O)[O-]

Isomeric SMILES

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

InChI

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