2-[(3R,4S)-1-cyclohexylcarbonyl-3-(2-pyrrolidin-1-ium-1-ylethyl)piperidin-4-yl]ethanoate

Systemtic Name: 2-[(3R,4S)-1-cyclohexylcarbonyl-3-(2-pyrrolidin-1-ium-1-ylethyl)piperidin-4-yl]ethanoate Openeye Name: 2-[(3R,4S)-1-(cyclohexanecarbonyl)-3-(2-pyrrolidin-1-ium-1-ylethyl)-4-piperidyl]acetate CAS Name: 2-[(3R,4S)-1-[cyclohexyl(oxo)methyl]-3-[2-(1-pyrrolidin-1-iumyl)ethyl]-4-piperidinyl]acetate IUPAC Name: 2-[(3R,4S)-1-(cyclohexanecarbonyl)-3-(2-pyrrolidin-1-ium-1-ylethyl)piperidin-4-yl]acetate Traditional Name: 2-[(3R,4S)-1-(cyclohexanecarbonyl)-3-(2-pyrrolidin-1-ium-1-ylethyl)-4-piperidyl]acetate Formula: C20H34N2O3 MolecularWeight: 350.49556

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2CCC(C(C2)CC[NH+]3CCCC3)CC(=O)[O-]

Isomeric SMILES

C1CCC(CC1)C(=O)N2CC[C@H]([C@H](C2)CC[NH+]3CCCC3)CC(=O)[O-]

InChI

InChI=1S/C20H34N2O3/c23-19(24)14-17-9-13-22(20(25)16-6-2-1-3-7-16)15-18(17)8-12-21-10-4-5-11-21/h16-18H,1-15H2,(H,23,24)/t17-,18-/m0/s1