(1R,3S)-1-(hydroxymethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate

Systemtic Name: (1R,3S)-1-(hydroxymethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate Openeye Name: (1R,3S)-1-(hydroxymethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate CAS Name: (1R,3S)-1-(hydroxymethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate IUPAC Name: (1R,3S)-1-(hydroxymethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate Traditional Name: (1R,3S)-1-methylol-2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium-3-carboxylate Formula: C13H14N2O3 MolecularWeight: 246.26186

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Descriptors Computed from Structure

Canonical SMILES:

C1C([NH2+]C(C2=C1C3=CC=CC=C3N2)CO)C(=O)[O-]

Isomeric SMILES

C1[C@H]([NH2+][C@H](C2=C1C3=CC=CC=C3N2)CO)C(=O)[O-]

InChI

InChI=1S/C13H14N2O3/c16-6-11-12-8(5-10(14-11)13(17)18)7-3-1-2-4-9(7)15-12/h1-4,10-11,14-16H,5-6H2,(H,17,18)/t10-,11-/m0/s1