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

Systemtic Name: 1-(2-oxidanylnaphthalen-1-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate Openeye Name: 1-(2-hydroxy-1-naphthyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate CAS Name: 1-(2-hydroxy-1-naphthalenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate IUPAC Name: 1-(2-hydroxynaphthalen-1-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate Traditional Name: 1-(2-hydroxy-1-naphthyl)-2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium-3-carboxylate Formula: C22H18N2O3 MolecularWeight: 358.38992

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Descriptors Computed from Structure

Canonical SMILES:

C1C([NH2+]C(C2=C1C3=CC=CC=C3N2)C4=C(C=CC5=CC=CC=C54)O)C(=O)[O-]

Isomeric SMILES

C1C([NH2+]C(C2=C1C3=CC=CC=C3N2)C4=C(C=CC5=CC=CC=C54)O)C(=O)[O-]

InChI

InChI=1S/C22H18N2O3/c25-18-10-9-12-5-1-2-6-13(12)19(18)21-20-15(11-17(24-21)22(26)27)14-7-3-4-8-16(14)23-20/h1-10,17,21,23-25H,11H2,(H,26,27)