ethyl 4-[[(3R)-oxolan-3-yl]methyl-[6-(1H-pyrazol-2-ium-2-yl)pyridin-3-yl]carbonyl-amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[(3R)-oxolan-3-yl]methyl-[6-(1H-pyrazol-2-ium-2-yl)pyridin-3-yl]carbonyl-amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[6-(1H-pyrazol-2-ium-2-yl)pyridine-3-carbonyl]-[[(3R)-tetrahydrofuran-3-yl]methyl]amino]piperidine-1-carboxylate CAS Name: 4-[[(3R)-3-oxolanyl]methyl-[oxo-[6-(1H-pyrazol-2-ium-2-yl)-3-pyridinyl]methyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(3R)-oxolan-3-yl]methyl-[6-(1H-pyrazol-2-ium-2-yl)pyridine-3-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[6-(1H-pyrazol-2-ium-2-yl)nicotinoyl]-[[(3R)-tetrahydrofuran-3-yl]methyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C22H30N5O4+ MolecularWeight: 428.5047

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N(CC2CCOC2)C(=O)C3=CN=C(C=C3)[N+]4=CC=CN4

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N(C[C@H]2CCOC2)C(=O)C3=CN=C(C=C3)[N+]4=CC=CN4

InChI

InChI=1S/C22H29N5O4/c1-2-31-22(29)25-11-6-19(7-12-25)26(15-17-8-13-30-16-17)21(28)18-4-5-20(23-14-18)27-10-3-9-24-27/h3-5,9-10,14,17,19H,2,6-8,11-13,15-16H2,1H3/p+1/t17-/m1/s1