ethyl 4-(cyclopropylmethyl)-1-[(2R)-1-(4-fluorophenyl)propan-2-yl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 4-(cyclopropylmethyl)-1-[(2R)-1-(4-fluorophenyl)propan-2-yl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-(cyclopropylmethyl)-1-[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 4-(cyclopropylmethyl)-1-[(2R)-1-(4-fluorophenyl)propan-2-yl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(cyclopropylmethyl)-1-[(2R)-1-(4-fluorophenyl)propan-2-yl]piperidin-1-ium-4-carboxylate Traditional Name: 4-(cyclopropylmethyl)-1-[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C21H31FNO2+ MolecularWeight: 348.474743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)C(C)CC2=CC=C(C=C2)F)CC3CC3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)[C@H](C)CC2=CC=C(C=C2)F)CC3CC3

InChI

InChI=1S/C21H30FNO2/c1-3-25-20(24)21(15-18-4-5-18)10-12-23(13-11-21)16(2)14-17-6-8-19(22)9-7-17/h6-9,16,18H,3-5,10-15H2,1-2H3/p+1/t16-/m1/s1