5-bromanylpyridine-3-carboxylate; 1,2,3,4-tetrahydroacridin-9-ylazanium

Systemtic Name: 5-bromanylpyridine-3-carboxylate; 1,2,3,4-tetrahydroacridin-9-ylazanium Openeye Name: 5-bromopyridine-3-carboxylate; 1,2,3,4-tetrahydroacridin-9-ylammonium CAS Name: 5-bromo-3-pyridinecarboxylate; 1,2,3,4-tetrahydroacridin-9-ylammonium IUPAC Name: 5-bromopyridine-3-carboxylate; 1,2,3,4-tetrahydroacridin-9-ylazanium Traditional Name: 5-bromonicotinate; 1,2,3,4-tetrahydroacridin-9-ylammonium Formula: C19H18BrN3O2 MolecularWeight: 400.26912

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=CC=CC=C3C(=C2C1)[NH3+].C1=C(C=NC=C1Br)C(=O)[O-]

Isomeric SMILES

C1CCC2=NC3=CC=CC=C3C(=C2C1)[NH3+].C1=C(C=NC=C1Br)C(=O)[O-]

InChI

InChI=1S/C13H14N2.C6H4BrNO2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;7-5-1-4(6(9)10)2-8-3-5/h1,3,5,7H,2,4,6,8H2,(H2,14,15);1-3H,(H,9,10)