ethyl (3S)-1-[(2-morpholin-4-ylcarbonylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(2-morpholin-4-ylcarbonylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[[2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[[2-[4-morpholinyl(oxo)methyl]-3-imidazo[1,2-a]pyridinyl]methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[[2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[[2-(morpholine-4-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C21H29N4O4+ MolecularWeight: 401.47936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=C(N=C3N2C=CC=C3)C(=O)N4CCOCC4

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC2=C(N=C3N2C=CC=C3)C(=O)N4CCOCC4

InChI

InChI=1S/C21H28N4O4/c1-2-29-21(27)16-6-5-8-23(14-16)15-17-19(20(26)24-10-12-28-13-11-24)22-18-7-3-4-9-25(17)18/h3-4,7,9,16H,2,5-6,8,10-15H2,1H3/p+1/t16-/m0/s1