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

Systemtic Name: 2-[6-(azepan-1-yl)-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]ethanoate Openeye Name: 2-[6-(azepan-1-yl)-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]acetate CAS Name: 2-[6-(1-azepanyl)-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]acetate IUPAC Name: 2-[6-(azepan-1-yl)-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]acetate Traditional Name: 2-[6-(azepan-1-yl)-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]acetate Formula: C15H19N3O2 MolecularWeight: 273.33026

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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)