2-[(2S)-4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-1-[(4-methoxy-3-methyl-phenyl)methyl]piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-1-[(4-methoxy-3-methyl-phenyl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-1-[(4-methoxy-3-methyl-phenyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-1-[(4-methoxy-3-methylphenyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[(4-methoxy-3-methylphenyl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-1-(4-methoxy-3-methyl-benzyl)piperazin-4-ium-2-yl]ethanol Formula: C22H35N4O2+ MolecularWeight: 387.5389

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)C[NH+]2CCN(C(C2)CCO)CC3=CC(=C(C=C3)OC)C

Isomeric SMILES

CCN1C=C(C(=N1)C)C[NH+]2CCN([C@H](C2)CCO)CC3=CC(=C(C=C3)OC)C

InChI

InChI=1S/C22H34N4O2/c1-5-26-15-20(18(3)23-26)14-24-9-10-25(21(16-24)8-11-27)13-19-6-7-22(28-4)17(2)12-19/h6-7,12,15,21,27H,5,8-11,13-14,16H2,1-4H3/p+1/t21-/m0/s1