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

Systemtic Name: (3R)-2-pyridin-1-ium-4-yl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (3R)-2-pyridin-1-ium-4-yl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-(4-pyridin-1-iumyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate IUPAC Name: (3R)-2-pyridin-1-ium-4-yl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-pyridin-1-ium-4-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=[NH+]C=C3)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O2/c18-15(19)14-9-11-3-1-2-4-12(11)10-17(14)13-5-7-16-8-6-13/h1-8,14H,9-10H2,(H,18,19)/t14-/m1/s1