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

Systemtic Name: 2-[(3R,4S)-1-cyclobutylcarbonyl-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]piperidin-4-yl]ethanoate Openeye Name: 2-[(3R,4S)-1-(cyclobutanecarbonyl)-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-4-piperidyl]acetate CAS Name: 2-[(3R,4S)-1-[cyclobutyl(oxo)methyl]-3-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-4-piperidinyl]acetate IUPAC Name: 2-[(3R,4S)-1-(cyclobutanecarbonyl)-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]piperidin-4-yl]acetate Traditional Name: 2-[(3R,4S)-1-(cyclobutanecarbonyl)-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-4-piperidyl]acetate Formula: C24H35N3O3 MolecularWeight: 413.553

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)N2CCC(C(C2)CC[NH+]3CCN(CC3)C4=CC=CC=C4)CC(=O)[O-]

Isomeric SMILES

C1CC(C1)C(=O)N2CC[C@H]([C@H](C2)CC[NH+]3CCN(CC3)C4=CC=CC=C4)CC(=O)[O-]

InChI

InChI=1S/C24H35N3O3/c28-23(29)17-20-10-12-27(24(30)19-5-4-6-19)18-21(20)9-11-25-13-15-26(16-14-25)22-7-2-1-3-8-22/h1-3,7-8,19-21H,4-6,9-18H2,(H,28,29)/t20-,21-/m0/s1