(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)azanium; pyridine-4-carboxylate

Systemtic Name: (1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)azanium; pyridine-4-carboxylate Openeye Name: (1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)ammonium; pyridine-4-carboxylate CAS Name: (1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)ammonium; 4-pyridinecarboxylate IUPAC Name: (1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)azanium; pyridine-4-carboxylate Traditional Name: isonicotinate; (1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)ammonium Formula: C18H18N4O2 MolecularWeight: 322.36112

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C3=CC=CC=C3N=C21)[NH3+].C1=CN=CC=C1C(=O)[O-]

Isomeric SMILES

CN1CCC2=C(C3=CC=CC=C3N=C21)[NH3+].C1=CN=CC=C1C(=O)[O-]

InChI

InChI=1S/C12H13N3.C6H5NO2/c1-15-7-6-9-11(13)8-4-2-3-5-10(8)14-12(9)15;8-6(9)5-1-3-7-4-2-5/h2-5H,6-7H2,1H3,(H2,13,14);1-4H,(H,8,9)