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

Systemtic Name: (1S,3S)-1-(2-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate Openeye Name: (1S,3S)-1-(2-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate CAS Name: (1S,3S)-1-(2-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate IUPAC Name: (1S,3S)-1-(2-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate Traditional Name: (1S,3S)-1-(2-nitrophenyl)-2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium-3-carboxylate Formula: C18H15N3O4 MolecularWeight: 337.3294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O4/c22-18(23)14-9-12-10-5-1-3-7-13(10)19-17(12)16(20-14)11-6-2-4-8-15(11)21(24)25/h1-8,14,16,19-20H,9H2,(H,22,23)/t14-,16-/m0/s1