ethyl 4-(2-phenoxyethyl)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 4-(2-phenoxyethyl)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-(2-phenoxyethyl)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-carboxylate CAS Name: 4-(2-phenoxyethyl)-1-[3-(1-pyrazolyl)propyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-phenoxyethyl)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-carboxylate Traditional Name: 4-(2-phenoxyethyl)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C22H32N3O3+ MolecularWeight: 386.50778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CCCN2C=CC=N2)CCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CCCN2C=CC=N2)CCOC3=CC=CC=C3

InChI

InChI=1S/C22H31N3O3/c1-2-27-21(26)22(12-19-28-20-8-4-3-5-9-20)10-17-24(18-11-22)14-7-16-25-15-6-13-23-25/h3-6,8-9,13,15H,2,7,10-12,14,16-19H2,1H3/p+1