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

Systemtic Name: methyl 1-(2-fluorophenyl)-1-(2-imidazol-1-ylethyl)-4-(propanoylamino)piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-(2-fluorophenyl)-1-(2-imidazol-1-ylethyl)-4-(propanoylamino)piperidin-1-ium-4-carboxylate CAS Name: 1-(2-fluorophenyl)-1-[2-(1-imidazolyl)ethyl]-4-(1-oxopropylamino)-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-(2-fluorophenyl)-1-(2-imidazol-1-ylethyl)-4-(propanoylamino)piperidin-1-ium-4-carboxylate Traditional Name: 1-(2-fluorophenyl)-1-(2-imidazol-1-ylethyl)-4-propionamido-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=CN=C2)C3=CC=CC=C3F)C(=O)OC

Isomeric SMILES

CCC(=O)NC1(CC[N+](CC1)(CCN2C=CN=C2)C3=CC=CC=C3F)C(=O)OC

InChI

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