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

Systemtic Name: (1S,3S)-1-(4-bromophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate Openeye Name: (1S,3S)-1-(4-bromophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate CAS Name: (1S,3S)-1-(4-bromophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate IUPAC Name: (1S,3S)-1-(4-bromophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate Traditional Name: (1S,3S)-1-(4-bromophenyl)-2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium-3-carboxylate Formula: C18H15BrN2O2 MolecularWeight: 371.2279

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15BrN2O2/c19-11-7-5-10(6-8-11)16-17-13(9-15(21-16)18(22)23)12-3-1-2-4-14(12)20-17/h1-8,15-16,20-21H,9H2,(H,22,23)/t15-,16-/m0/s1