2-[(2S)-1-cyclopentyl-4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-cyclopentyl-4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-cyclopentyl-4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-cyclopentyl-4-[[1-(2-methoxyphenyl)-4-pyrazolyl]methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-cyclopentyl-4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-cyclopentyl-4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]piperazin-1-ium-2-yl]ethanol Formula: C22H33N4O2+ MolecularWeight: 385.52302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C=C(C=N2)CN3CC[NH+](C(C3)CCO)C4CCCC4

Isomeric SMILES

COC1=CC=CC=C1N2C=C(C=N2)CN3CC[NH+]([C@H](C3)CCO)C4CCCC4

InChI

InChI=1S/C22H32N4O2/c1-28-22-9-5-4-8-21(22)26-16-18(14-23-26)15-24-11-12-25(19-6-2-3-7-19)20(17-24)10-13-27/h4-5,8-9,14,16,19-20,27H,2-3,6-7,10-13,15,17H2,1H3/p+1/t20-/m0/s1