2-[(2S)-1-(cyclohexylmethyl)-4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-(cyclohexylmethyl)-4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(cyclohexylmethyl)-4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(cyclohexylmethyl)-4-[[3-(1-pyrazolyl)phenyl]methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(cyclohexylmethyl)-4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(cyclohexylmethyl)-4-(3-pyrazol-1-ylbenzyl)piperazin-1-ium-2-yl]ethanol Formula: C23H35N4O+ MolecularWeight: 383.5502

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C[NH+]2CCN(CC2CCO)CC3=CC(=CC=C3)N4C=CC=N4

Isomeric SMILES

C1CCC(CC1)C[NH+]2CCN(C[C@@H]2CCO)CC3=CC(=CC=C3)N4C=CC=N4

InChI

InChI=1S/C23H34N4O/c28-15-10-23-19-25(13-14-26(23)18-20-6-2-1-3-7-20)17-21-8-4-9-22(16-21)27-12-5-11-24-27/h4-5,8-9,11-12,16,20,23,28H,1-3,6-7,10,13-15,17-19H2/p+1/t23-/m0/s1