2-[(3R,4S)-1-cyclohexylcarbonyl-3-[2-(4-ethanoyl-1,4-diazepan-1-ium-1-yl)ethyl]piperidin-4-yl]ethanoate

Systemtic Name: 2-[(3R,4S)-1-cyclohexylcarbonyl-3-[2-(4-ethanoyl-1,4-diazepan-1-ium-1-yl)ethyl]piperidin-4-yl]ethanoate Openeye Name: 2-[(3R,4S)-3-[2-(4-acetyl-1,4-diazepan-1-ium-1-yl)ethyl]-1-(cyclohexanecarbonyl)-4-piperidyl]acetate CAS Name: 2-[(3R,4S)-3-[2-(4-acetyl-1,4-diazepan-1-ium-1-yl)ethyl]-1-[cyclohexyl(oxo)methyl]-4-piperidinyl]acetate IUPAC Name: 2-[(3R,4S)-3-[2-(4-acetyl-1,4-diazepan-1-ium-1-yl)ethyl]-1-(cyclohexanecarbonyl)piperidin-4-yl]acetate Traditional Name: 2-[(3R,4S)-3-[2-(4-acetyl-1,4-diazepan-1-ium-1-yl)ethyl]-1-(cyclohexanecarbonyl)-4-piperidyl]acetate Formula: C23H39N3O4 MolecularWeight: 421.57346

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC[NH+](CC1)CCC2CN(CCC2CC(=O)[O-])C(=O)C3CCCCC3

Isomeric SMILES

CC(=O)N1CCC[NH+](CC1)CC[C@H]2CN(CC[C@H]2CC(=O)[O-])C(=O)C3CCCCC3

InChI

InChI=1S/C23H39N3O4/c1-18(27)25-11-5-10-24(14-15-25)12-8-21-17-26(13-9-20(21)16-22(28)29)23(30)19-6-3-2-4-7-19/h19-21H,2-17H2,1H3,(H,28,29)/t20-,21-/m0/s1