methyl (2S)-1-[(8-methyl-2-piperidin-1-ylcarbonyl-imidazo[1,2-a]pyridin-3-yl)methyl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S)-1-[(8-methyl-2-piperidin-1-ylcarbonyl-imidazo[1,2-a]pyridin-3-yl)methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S)-1-[[8-methyl-2-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S)-1-[[8-methyl-2-[oxo(1-piperidinyl)methyl]-3-imidazo[1,2-a]pyridinyl]methyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[[8-methyl-2-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S)-1-[[8-methyl-2-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl]pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C21H29N4O3+ MolecularWeight: 385.47996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=C2C[NH+]3CCCC3C(=O)OC)C(=O)N4CCCCC4

Isomeric SMILES

CC1=CC=CN2C1=NC(=C2C[NH+]3CCC[C@H]3C(=O)OC)C(=O)N4CCCCC4

InChI

InChI=1S/C21H28N4O3/c1-15-8-6-13-25-17(14-24-12-7-9-16(24)21(27)28-2)18(22-19(15)25)20(26)23-10-4-3-5-11-23/h6,8,13,16H,3-5,7,9-12,14H2,1-2H3/p+1/t16-/m0/s1