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

Systemtic Name: 2-[(3R,4S)-1-cyclopentylcarbonyl-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]piperidin-4-yl]ethanoate Openeye Name: 2-[(3R,4S)-1-(cyclopentanecarbonyl)-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-4-piperidyl]acetate CAS Name: 2-[(3R,4S)-1-[cyclopentyl(oxo)methyl]-3-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-4-piperidinyl]acetate IUPAC Name: 2-[(3R,4S)-1-(cyclopentanecarbonyl)-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]piperidin-4-yl]acetate Traditional Name: 2-[(3R,4S)-1-(cyclopentanecarbonyl)-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-4-piperidyl]acetate Formula: C25H37N3O3 MolecularWeight: 427.57958

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)N2CCC(C(C2)CC[NH+]3CCN(CC3)C4=CC=CC=C4)CC(=O)[O-]

Isomeric SMILES

C1CCC(C1)C(=O)N2CC[C@H]([C@H](C2)CC[NH+]3CCN(CC3)C4=CC=CC=C4)CC(=O)[O-]

InChI

InChI=1S/C25H37N3O3/c29-24(30)18-21-11-13-28(25(31)20-6-4-5-7-20)19-22(21)10-12-26-14-16-27(17-15-26)23-8-2-1-3-9-23/h1-3,8-9,20-22H,4-7,10-19H2,(H,29,30)/t21-,22-/m0/s1