(3R)-2-pyridin-1-ium-2-yl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: (3R)-2-pyridin-1-ium-2-yl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (3R)-2-pyridin-1-ium-2-yl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-(2-pyridin-1-iumyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate IUPAC Name: (3R)-2-pyridin-1-ium-2-yl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-pyridin-1-ium-2-yl-3,4-dihydro-1H-isoquinoline-3-carboxylate Formula: C15H14N2O2 MolecularWeight: 254.28386

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C3=CC=CC=[NH+]3)C(=O)[O-]

Isomeric SMILES

C1[C@@H](N(CC2=CC=CC=C21)C3=CC=CC=[NH+]3)C(=O)[O-]

InChI

InChI=1S/C15H14N2O2/c18-15(19)13-9-11-5-1-2-6-12(11)10-17(13)14-7-3-4-8-16-14/h1-8,13H,9-10H2,(H,18,19)/t13-/m1/s1