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

Systemtic Name: 2-[(3R,4S)-1-cyclopropylcarbonyl-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-(cyclopropanecarbonyl)-4-piperidyl]acetate CAS Name: 2-[(3R,4S)-3-[2-(4-acetyl-1,4-diazepan-1-ium-1-yl)ethyl]-1-[cyclopropyl(oxo)methyl]-4-piperidinyl]acetate IUPAC Name: 2-[(3R,4S)-3-[2-(4-acetyl-1,4-diazepan-1-ium-1-yl)ethyl]-1-(cyclopropanecarbonyl)piperidin-4-yl]acetate Traditional Name: 2-[(3R,4S)-3-[2-(4-acetyl-1,4-diazepan-1-ium-1-yl)ethyl]-1-(cyclopropanecarbonyl)-4-piperidyl]acetate Formula: C20H33N3O4 MolecularWeight: 379.49372

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC[NH+](CC1)CCC2CN(CCC2CC(=O)[O-])C(=O)C3CC3

Isomeric SMILES

CC(=O)N1CCC[NH+](CC1)CC[C@H]2CN(CC[C@H]2CC(=O)[O-])C(=O)C3CC3

InChI

InChI=1S/C20H33N3O4/c1-15(24)22-8-2-7-21(11-12-22)9-5-18-14-23(20(27)16-3-4-16)10-6-17(18)13-19(25)26/h16-18H,2-14H2,1H3,(H,25,26)/t17-,18-/m0/s1