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

Systemtic Name: (1S,3S)-1-pyridin-4-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate Openeye Name: (1S,3S)-1-(4-pyridyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate CAS Name: (1S,3S)-1-pyridin-4-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate IUPAC Name: (1S,3S)-1-pyridin-4-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate Traditional Name: (1S,3S)-1-(4-pyridyl)-2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium-3-carboxylate Formula: C17H15N3O2 MolecularWeight: 293.3199

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Descriptors Computed from Structure

Canonical SMILES:

C1C([NH2+]C(C2=C1C3=CC=CC=C3N2)C4=CC=NC=C4)C(=O)[O-]

Isomeric SMILES

C1[C@H]([NH2+][C@H](C2=C1C3=CC=CC=C3N2)C4=CC=NC=C4)C(=O)[O-]

InChI

InChI=1S/C17H15N3O2/c21-17(22)14-9-12-11-3-1-2-4-13(11)19-16(12)15(20-14)10-5-7-18-8-6-10/h1-8,14-15,19-20H,9H2,(H,21,22)/t14-,15-/m0/s1