4-bromanyl-3-[[4-(7-oxidanidyl-1-propyl-pyrrolo[2,3-b]pyridin-7-ium-3-yl)piperidin-1-yl]methyl]benzoic acid

Systemtic Name: 4-bromanyl-3-[[4-(7-oxidanidyl-1-propyl-pyrrolo[2,3-b]pyridin-7-ium-3-yl)piperidin-1-yl]methyl]benzoic acid Openeye Name: 4-bromo-3-[[4-(7-oxido-1-propyl-pyrrolo[2,3-b]pyridin-7-ium-3-yl)-1-piperidyl]methyl]benzoic acid CAS Name: 4-bromo-3-[[4-(7-oxido-1-propyl-3-pyrrolo[2,3-b]pyridin-7-iumyl)-1-piperidinyl]methyl]benzoic acid IUPAC Name: 4-bromo-3-[[4-(7-oxido-1-propylpyrrolo[2,3-b]pyridin-7-ium-3-yl)piperidin-1-yl]methyl]benzoic acid Traditional Name: 4-bromo-3-[[4-(7-oxido-1-propyl-pyrrolo[2,3-b]pyridin-7-ium-3-yl)piperidino]methyl]benzoic acid Formula: C23H26BrN3O3 MolecularWeight: 472.37484

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C2=C1[N+](=CC=C2)[O-])C3CCN(CC3)CC4=C(C=CC(=C4)C(=O)O)Br

Isomeric SMILES

CCCN1C=C(C2=C1[N+](=CC=C2)[O-])C3CCN(CC3)CC4=C(C=CC(=C4)C(=O)O)Br

InChI

InChI=1S/C23H26BrN3O3/c1-2-9-26-15-20(19-4-3-10-27(30)22(19)26)16-7-11-25(12-8-16)14-18-13-17(23(28)29)5-6-21(18)24/h3-6,10,13,15-16H,2,7-9,11-12,14H2,1H3,(H,28,29)