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

Systemtic Name: 2-[(3R,4S)-1-cyclobutylcarbonyl-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-(cyclobutanecarbonyl)-4-piperidyl]acetate CAS Name: 2-[(3R,4S)-3-[2-(4-acetyl-1,4-diazepan-1-ium-1-yl)ethyl]-1-[cyclobutyl(oxo)methyl]-4-piperidinyl]acetate IUPAC Name: 2-[(3R,4S)-3-[2-(4-acetyl-1,4-diazepan-1-ium-1-yl)ethyl]-1-(cyclobutanecarbonyl)piperidin-4-yl]acetate Traditional Name: 2-[(3R,4S)-3-[2-(4-acetyl-1,4-diazepan-1-ium-1-yl)ethyl]-1-(cyclobutanecarbonyl)-4-piperidyl]acetate Formula: C21H35N3O4 MolecularWeight: 393.5203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC[NH+](CC1)CCC2CN(CCC2CC(=O)[O-])C(=O)C3CCC3

Isomeric SMILES

CC(=O)N1CCC[NH+](CC1)CC[C@H]2CN(CC[C@H]2CC(=O)[O-])C(=O)C3CCC3

InChI

InChI=1S/C21H35N3O4/c1-16(25)23-9-3-8-22(12-13-23)10-6-19-15-24(21(28)17-4-2-5-17)11-7-18(19)14-20(26)27/h17-19H,2-15H2,1H3,(H,26,27)/t18-,19-/m0/s1