1-(4-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylic acid

Systemtic Name: 1-(4-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylic acid Openeye Name: 1-(4-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylic acid CAS Name: 1-(4-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylic acid IUPAC Name: 1-(4-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylic acid Traditional Name: 1-(4-nitrophenyl)-2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium-3-carboxylic acid Formula: C18H16N3O4+ MolecularWeight: 338.33734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O4/c22-18(23)15-9-13-12-3-1-2-4-14(12)19-17(13)16(20-15)10-5-7-11(8-6-10)21(24)25/h1-8,15-16,19-20H,9H2,(H,22,23)/p+1