5-bromanylpyridine-3-carboxylate; 1-methyl-1,2,3,4-tetrahydrobenzo[b][1,8]naphthyridin-1-ium-5-amine

Systemtic Name: 5-bromanylpyridine-3-carboxylate; 1-methyl-1,2,3,4-tetrahydrobenzo[b][1,8]naphthyridin-1-ium-5-amine Openeye Name: 5-bromopyridine-3-carboxylate; 1-methyl-1,2,3,4-tetrahydrobenzo[b][1,8]naphthyridin-1-ium-5-amine CAS Name: 5-bromo-3-pyridinecarboxylate; 1-methyl-1,2,3,4-tetrahydrobenzo[b][1,8]naphthyridin-1-ium-5-amine IUPAC Name: 5-bromopyridine-3-carboxylate; 1-methyl-1,2,3,4-tetrahydrobenzo[b][1,8]naphthyridin-1-ium-5-amine Traditional Name: 5-bromonicotinate; (1-methyl-1,2,3,4-tetrahydrobenzo[b][1,8]naphthyridin-1-ium-5-yl)amine Formula: C19H19BrN4O2 MolecularWeight: 415.28376

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC2=C(C3=CC=CC=C3N=C21)N.C1=C(C=NC=C1Br)C(=O)[O-]

Isomeric SMILES

C[NH+]1CCCC2=C(C3=CC=CC=C3N=C21)N.C1=C(C=NC=C1Br)C(=O)[O-]

InChI

InChI=1S/C13H15N3.C6H4BrNO2/c1-16-8-4-6-10-12(14)9-5-2-3-7-11(9)15-13(10)16;7-5-1-4(6(9)10)2-8-3-5/h2-3,5,7H,4,6,8H2,1H3,(H2,14,15);1-3H,(H,9,10)