2-[6-(azepan-1-yl)-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]ethanoic acid

Systemtic Name: 2-[6-(azepan-1-yl)-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]ethanoic acid Openeye Name: 2-[6-(azepan-1-yl)-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]acetic acid CAS Name: 2-[6-(1-azepanyl)-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]acetic acid IUPAC Name: 2-[6-(azepan-1-yl)-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]acetic acid Traditional Name: 2-[6-(azepan-1-yl)-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]acetic acid Formula: C15H20N3O2+ MolecularWeight: 274.3382

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C[N+]3=C(C=C2)NC(=C3)CC(=O)O

Isomeric SMILES

C1CCCN(CC1)C2=C[N+]3=C(C=C2)NC(=C3)CC(=O)O

InChI

InChI=1S/C15H19N3O2/c19-15(20)9-12-10-18-11-13(5-6-14(18)16-12)17-7-3-1-2-4-8-17/h5-6,10-11H,1-4,7-9H2,(H,19,20)/p+1