tert-butyl 2-[(3R,4S)-1-ethanoyl-3-[2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethyl]piperidin-4-yl]ethanoate

Systemtic Name: tert-butyl 2-[(3R,4S)-1-ethanoyl-3-[2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethyl]piperidin-4-yl]ethanoate Openeye Name: tert-butyl 2-[(3R,4S)-1-acetyl-3-[2-[4-(2-pyridyl)piperazin-1-ium-1-yl]ethyl]-4-piperidyl]acetate CAS Name: 2-[(3R,4S)-1-acetyl-3-[2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]ethyl]-4-piperidinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(3R,4S)-1-acetyl-3-[2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethyl]piperidin-4-yl]acetate Traditional Name: 2-[(3R,4S)-1-acetyl-3-[2-[4-(2-pyridyl)piperazin-1-ium-1-yl]ethyl]-4-piperidyl]acetic acid tert-butyl ester Formula: C24H39N4O3+ MolecularWeight: 431.59146

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(C(C1)CC[NH+]2CCN(CC2)C3=CC=CC=N3)CC(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)N1CC[C@H]([C@H](C1)CC[NH+]2CCN(CC2)C3=CC=CC=N3)CC(=O)OC(C)(C)C

InChI

InChI=1S/C24H38N4O3/c1-19(29)28-12-9-20(17-23(30)31-24(2,3)4)21(18-28)8-11-26-13-15-27(16-14-26)22-7-5-6-10-25-22/h5-7,10,20-21H,8-9,11-18H2,1-4H3/p+1/t20-,21-/m0/s1