7-bromanyl-2-propan-2-yl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-2-ium-10-carboxylate

Systemtic Name: 7-bromanyl-2-propan-2-yl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-2-ium-10-carboxylate Openeye Name: 7-bromo-2-isopropyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-2-ium-10-carboxylate CAS Name: 7-bromo-2-propan-2-yl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-2-ium-10-carboxylate IUPAC Name: 7-bromo-2-propan-2-yl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-2-ium-10-carboxylate Traditional Name: 7-bromo-2-isopropyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-2-ium-10-carboxylate Formula: C16H17BrN2O2 MolecularWeight: 349.22238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC2=C(C1)C(=C3C=CC(=CC3=N2)Br)C(=O)[O-]

Isomeric SMILES

CC(C)[NH+]1CCC2=C(C1)C(=C3C=CC(=CC3=N2)Br)C(=O)[O-]

InChI

InChI=1S/C16H17BrN2O2/c1-9(2)19-6-5-13-12(8-19)15(16(20)21)11-4-3-10(17)7-14(11)18-13/h3-4,7,9H,5-6,8H2,1-2H3,(H,20,21)