3-[(1S)-1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]propanoate

Systemtic Name: 3-[(1S)-1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]propanoate Openeye Name: 3-[(1S)-1-(4-pyridyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]propanoate CAS Name: 3-[(1S)-1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]propanoate IUPAC Name: 3-[(1S)-1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]propanoate Traditional Name: 3-[(1S)-1-(4-pyridyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]propionate Formula: C17H18N2O2 MolecularWeight: 282.33702

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C2=CC=CC=C21)C3=CC=NC=C3)CCC(=O)[O-]

Isomeric SMILES

C1C[NH+]([C@H](C2=CC=CC=C21)C3=CC=NC=C3)CCC(=O)[O-]

InChI

InChI=1S/C17H18N2O2/c20-16(21)8-12-19-11-7-13-3-1-2-4-15(13)17(19)14-5-9-18-10-6-14/h1-6,9-10,17H,7-8,11-12H2,(H,20,21)/t17-/m0/s1