4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzoate

Systemtic Name: 4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzoate Openeye Name: 4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzoate CAS Name: 4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzoate IUPAC Name: 4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzoate Traditional Name: 4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzoate Formula: C17H17NO2 MolecularWeight: 267.32238

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C17H17NO2/c19-17(20)15-7-5-13(6-8-15)11-18-10-9-14-3-1-2-4-16(14)12-18/h1-8H,9-12H2,(H,19,20)