2-(9H-pyrido[3,4-b]indol-2-ium-1-yl)ethanoate

Systemtic Name: 2-(9H-pyrido[3,4-b]indol-2-ium-1-yl)ethanoate Openeye Name: 2-(9H-pyrido[3,4-b]indol-2-ium-1-yl)acetate CAS Name: 2-(9H-pyrido[3,4-b]indol-2-ium-1-yl)acetate IUPAC Name: 2-(9H-pyrido[3,4-b]indol-2-ium-1-yl)acetate Traditional Name: 2-(9H-$b-carbolin-2-ium-1-yl)acetate Formula: C13H10N2O2 MolecularWeight: 226.2307

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(N2)C(=[NH+]C=C3)CC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(N2)C(=[NH+]C=C3)CC(=O)[O-]

InChI

InChI=1S/C13H10N2O2/c16-12(17)7-11-13-9(5-6-14-11)8-3-1-2-4-10(8)15-13/h1-6,15H,7H2,(H,16,17)