ethyl 4-(3-phenylpropyl)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 4-(3-phenylpropyl)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-(3-phenylpropyl)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-carboxylate CAS Name: 4-(3-phenylpropyl)-1-[3-(1-pyrazolyl)propyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-phenylpropyl)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-carboxylate Traditional Name: 4-(3-phenylpropyl)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C23H34N3O2+ MolecularWeight: 384.53496

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CCCN2C=CC=N2)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CCCN2C=CC=N2)CCCC3=CC=CC=C3

InChI

InChI=1S/C23H33N3O2/c1-2-28-22(27)23(12-6-11-21-9-4-3-5-10-21)13-19-25(20-14-23)16-8-18-26-17-7-15-24-26/h3-5,7,9-10,15,17H,2,6,8,11-14,16,18-20H2,1H3/p+1