2-[3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]ethanoate

Systemtic Name: 2-[3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]ethanoate Openeye Name: 2-[3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]acetate CAS Name: 2-[3-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-2-imidazo[1,2-a]pyridinyl]acetate IUPAC Name: 2-[3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]acetate Traditional Name: 2-[3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]acetate Formula: C16H21N3O2 MolecularWeight: 287.35684

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(N=C3N2C=CC=C3)CC(=O)[O-]

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=C(N=C3N2C=CC=C3)CC(=O)[O-]

InChI

InChI=1S/C16H21N3O2/c1-12-5-4-7-18(10-12)11-14-13(9-16(20)21)17-15-6-2-3-8-19(14)15/h2-3,6,8,12H,4-5,7,9-11H2,1H3,(H,20,21)/t12-/m0/s1