ethyl 4-[(3S)-3-[(3-pyrazol-1-ylphenyl)carbamoyl]piperidin-1-ium-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-3-[(3-pyrazol-1-ylphenyl)carbamoyl]piperidin-1-ium-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[(3S)-3-[(3-pyrazol-1-ylphenyl)carbamoyl]piperidin-1-ium-1-yl]piperidine-1-carboxylate CAS Name: 4-[(3S)-3-[oxo-[3-(1-pyrazolyl)anilino]methyl]-1-piperidin-1-iumyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-3-[(3-pyrazol-1-ylphenyl)carbamoyl]piperidin-1-ium-1-yl]piperidine-1-carboxylate Traditional Name: 4-[(3S)-3-[(3-pyrazol-1-ylphenyl)carbamoyl]piperidin-1-ium-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C23H32N5O3+ MolecularWeight: 426.53188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)[NH+]2CCCC(C2)C(=O)NC3=CC=CC(=C3)N4C=CC=N4

Isomeric SMILES

CCOC(=O)N1CCC(CC1)[NH+]2CCC[C@@H](C2)C(=O)NC3=CC=CC(=C3)N4C=CC=N4

InChI

InChI=1S/C23H31N5O3/c1-2-31-23(30)26-14-9-20(10-15-26)27-12-4-6-18(17-27)22(29)25-19-7-3-8-21(16-19)28-13-5-11-24-28/h3,5,7-8,11,13,16,18,20H,2,4,6,9-10,12,14-15,17H2,1H3,(H,25,29)/p+1/t18-/m0/s1