4-bromanyl-2-[(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]phenolate

Systemtic Name: 4-bromanyl-2-[(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]phenolate Openeye Name: 4-bromo-2-[(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]phenolate CAS Name: 4-bromo-2-[(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]phenolate IUPAC Name: 4-bromo-2-[(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-1-yl]phenolate Traditional Name: 4-bromo-2-[(1R)-2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium-1-yl]phenolate Formula: C17H15BrN2O MolecularWeight: 343.2178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrN2O/c18-10-5-6-15(21)13(9-10)16-17-12(7-8-19-16)11-3-1-2-4-14(11)20-17/h1-6,9,16,19-21H,7-8H2/t16-/m1/s1