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

Systemtic Name: (1R,3R)-1-phenethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate Openeye Name: (1R,3R)-1-phenethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate CAS Name: (1R,3R)-1-phenethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate IUPAC Name: (1R,3R)-1-phenethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate Traditional Name: (1R,3R)-1-phenethyl-2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium-3-carboxylate Formula: C20H20N2O2 MolecularWeight: 320.385

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Descriptors Computed from Structure

Canonical SMILES:

C1C([NH2+]C(C2=C1C3=CC=CC=C3N2)CCC4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

C1[C@@H]([NH2+][C@@H](C2=C1C3=CC=CC=C3N2)CCC4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C20H20N2O2/c23-20(24)18-12-15-14-8-4-5-9-16(14)22-19(15)17(21-18)11-10-13-6-2-1-3-7-13/h1-9,17-18,21-22H,10-12H2,(H,23,24)/t17-,18-/m1/s1