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

Systemtic Name: 2-[(2S)-1-cyclopentyl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-cyclopentyl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-cyclopentyl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-cyclopentyl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-cyclopentyl-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol Formula: C21H31N4O+ MolecularWeight: 355.49704

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCN(CC2CCO)CC3=C(NN=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)[NH+]2CCN(C[C@@H]2CCO)CC3=C(NN=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H30N4O/c26-13-10-20-16-24(11-12-25(20)19-8-4-5-9-19)15-18-14-22-23-21(18)17-6-2-1-3-7-17/h1-3,6-7,14,19-20,26H,4-5,8-13,15-16H2,(H,22,23)/p+1/t20-/m0/s1