[2-[(3S)-3-ethoxycarbonyl-3-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxidanylidene-ethyl]-diethyl-azanium

Systemtic Name: [2-[(3S)-3-ethoxycarbonyl-3-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxidanylidene-ethyl]-diethyl-azanium Openeye Name: [2-[(3S)-3-ethoxycarbonyl-3-[(4-fluorophenyl)methyl]-1-piperidyl]-2-oxo-ethyl]-diethyl-ammonium CAS Name: [2-[(3S)-3-ethoxycarbonyl-3-[(4-fluorophenyl)methyl]-1-piperidinyl]-2-oxoethyl]-diethylammonium IUPAC Name: [2-[(3S)-3-ethoxycarbonyl-3-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxoethyl]-diethylazanium Traditional Name: [2-[(3S)-3-carbethoxy-3-(4-fluorobenzyl)piperidino]-2-keto-ethyl]-diethyl-ammonium Formula: C21H32FN2O3+ MolecularWeight: 379.488783

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(=O)N1CCCC(C1)(CC2=CC=C(C=C2)F)C(=O)OCC

Isomeric SMILES

CC[NH+](CC)CC(=O)N1CCC[C@@](C1)(CC2=CC=C(C=C2)F)C(=O)OCC

InChI

InChI=1S/C21H31FN2O3/c1-4-23(5-2)15-19(25)24-13-7-12-21(16-24,20(26)27-6-3)14-17-8-10-18(22)11-9-17/h8-11H,4-7,12-16H2,1-3H3/p+1/t21-/m0/s1