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

Systemtic Name: 2-[(2S)-1-(cyclohexylmethyl)-4-(3-pyrazol-1-ylpropyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(cyclohexylmethyl)-4-(3-pyrazol-1-ylpropyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(cyclohexylmethyl)-4-[3-(1-pyrazolyl)propyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(cyclohexylmethyl)-4-(3-pyrazol-1-ylpropyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(cyclohexylmethyl)-4-(3-pyrazol-1-ylpropyl)piperazin-1-ium-2-yl]ethanol Formula: C19H35N4O+ MolecularWeight: 335.5074

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C[NH+]2CCN(CC2CCO)CCCN3C=CC=N3

Isomeric SMILES

C1CCC(CC1)C[NH+]2CCN(C[C@@H]2CCO)CCCN3C=CC=N3

InChI

InChI=1S/C19H34N4O/c24-15-8-19-17-21(10-5-12-23-11-4-9-20-23)13-14-22(19)16-18-6-2-1-3-7-18/h4,9,11,18-19,24H,1-3,5-8,10,12-17H2/p+1/t19-/m0/s1