methyl 1-(2-fluorophenyl)-4-(propanoylamino)-1-(2-pyrazol-1-ylethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-(2-fluorophenyl)-4-(propanoylamino)-1-(2-pyrazol-1-ylethyl)piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-(2-fluorophenyl)-4-(propanoylamino)-1-(2-pyrazol-1-ylethyl)piperidin-1-ium-4-carboxylate CAS Name: 1-(2-fluorophenyl)-4-(1-oxopropylamino)-1-[2-(1-pyrazolyl)ethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-(2-fluorophenyl)-4-(propanoylamino)-1-(2-pyrazol-1-ylethyl)piperidin-1-ium-4-carboxylate Traditional Name: 1-(2-fluorophenyl)-4-propionamido-1-(2-pyrazol-1-ylethyl)piperidin-1-ium-4-carboxylic acid methyl ester Formula: C21H28FN4O3+ MolecularWeight: 403.470423

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1(CC[N+](CC1)(CCN2C=CC=N2)C3=CC=CC=C3F)C(=O)OC

Isomeric SMILES

CCC(=O)NC1(CC[N+](CC1)(CCN2C=CC=N2)C3=CC=CC=C3F)C(=O)OC

InChI

InChI=1S/C21H27FN4O3/c1-3-19(27)24-21(20(28)29-2)9-14-26(15-10-21,16-13-25-12-6-11-23-25)18-8-5-4-7-17(18)22/h4-8,11-12H,3,9-10,13-16H2,1-2H3/p+1