ethyl 4-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-ium-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-ium-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-ium-1-yl]piperidine-1-carboxylate CAS Name: 4-[4-(4-phenyl-1H-pyrazol-5-yl)-1-piperidin-1-iumyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-ium-1-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-ium-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C22H31N4O2+ MolecularWeight: 383.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)[NH+]2CCC(CC2)C3=C(C=NN3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCC(CC1)[NH+]2CCC(CC2)C3=C(C=NN3)C4=CC=CC=C4

InChI

InChI=1S/C22H30N4O2/c1-2-28-22(27)26-14-10-19(11-15-26)25-12-8-18(9-13-25)21-20(16-23-24-21)17-6-4-3-5-7-17/h3-7,16,18-19H,2,8-15H2,1H3,(H,23,24)/p+1