2-[(2S)-1-cyclopentyl-4-[(5-methyl-2-pyrazol-1-yl-phenyl)methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-cyclopentyl-4-[(5-methyl-2-pyrazol-1-yl-phenyl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-cyclopentyl-4-[(5-methyl-2-pyrazol-1-yl-phenyl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-cyclopentyl-4-[[5-methyl-2-(1-pyrazolyl)phenyl]methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-cyclopentyl-4-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-cyclopentyl-4-(5-methyl-2-pyrazol-1-yl-benzyl)piperazin-1-ium-2-yl]ethanol Formula: C22H33N4O+ MolecularWeight: 369.52362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C=CC=N2)CN3CC[NH+](C(C3)CCO)C4CCCC4

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=CC=N2)CN3CC[NH+]([C@H](C3)CCO)C4CCCC4

InChI

InChI=1S/C22H32N4O/c1-18-7-8-22(26-11-4-10-23-26)19(15-18)16-24-12-13-25(20-5-2-3-6-20)21(17-24)9-14-27/h4,7-8,10-11,15,20-21,27H,2-3,5-6,9,12-14,16-17H2,1H3/p+1/t21-/m0/s1