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

Systemtic Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(2-ethoxybenzyl)-4-[(1-ethyl-3-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)C[NH+]2CCN(C(C2)CCO)CC3=CC=CC=C3OCC

Isomeric SMILES

CCN1C=C(C(=N1)C)C[NH+]2CCN([C@H](C2)CCO)CC3=CC=CC=C3OCC

InChI

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