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

Systemtic Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(4-ethoxybenzyl)-4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]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[NH+]2CCN(C(C2)CCO)CC3=CC=C(C=C3)OCC)C

Isomeric SMILES

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

InChI

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