2-[(1R)-1-phenyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-2-ium-1-yl]benzoate

Systemtic Name: 2-[(1R)-1-phenyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-2-ium-1-yl]benzoate Openeye Name: 2-[(1R)-1-phenyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-2-ium-1-yl]benzoate CAS Name: 2-[(1R)-1-phenyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-2-ium-1-yl]benzoate IUPAC Name: 2-[(1R)-1-phenyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-2-ium-1-yl]benzoate Traditional Name: 2-[(1R)-1-phenyl-2,3,4,9-tetrahydro-$b-carbolin-2-ium-1-yl]benzoate Formula: C24H20N2O2 MolecularWeight: 368.4278

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]C(C2=C1C3=CC=CC=C3N2)(C4=CC=CC=C4)C5=CC=CC=C5C(=O)[O-]

Isomeric SMILES

C1C[NH2+][C@](C2=C1C3=CC=CC=C3N2)(C4=CC=CC=C4)C5=CC=CC=C5C(=O)[O-]

InChI

InChI=1S/C24H20N2O2/c27-23(28)19-11-4-6-12-20(19)24(16-8-2-1-3-9-16)22-18(14-15-25-24)17-10-5-7-13-21(17)26-22/h1-13,25-26H,14-15H2,(H,27,28)/t24-/m1/s1