2-[(3R,4S)-1-cyclopropylcarbonyl-3-[2-(diethylazaniumyl)ethyl]piperidin-4-yl]ethanoate

Systemtic Name: 2-[(3R,4S)-1-cyclopropylcarbonyl-3-[2-(diethylazaniumyl)ethyl]piperidin-4-yl]ethanoate Openeye Name: 2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-[2-(diethylammonio)ethyl]-4-piperidyl]acetate CAS Name: 2-[(3R,4S)-1-[cyclopropyl(oxo)methyl]-3-[2-(diethylammonio)ethyl]-4-piperidinyl]acetate IUPAC Name: 2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-[2-(diethylazaniumyl)ethyl]piperidin-4-yl]acetate Traditional Name: 2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-[2-(diethylammonio)ethyl]-4-piperidyl]acetate Formula: C17H30N2O3 MolecularWeight: 310.4317

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCC1CN(CCC1CC(=O)[O-])C(=O)C2CC2

Isomeric SMILES

CC[NH+](CC)CC[C@H]1CN(CC[C@H]1CC(=O)[O-])C(=O)C2CC2

InChI

InChI=1S/C17H30N2O3/c1-3-18(4-2)9-7-15-12-19(17(22)13-5-6-13)10-8-14(15)11-16(20)21/h13-15H,3-12H2,1-2H3,(H,20,21)/t14-,15-/m0/s1