2-[(2S)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-[(4-ethoxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-[(4-ethoxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-[(4-ethoxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-[(4-ethoxyphenyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-[(4-ethoxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(4-ethoxybenzyl)piperazin-4-ium-2-yl]ethanol Formula: C23H37N4O2+ MolecularWeight: 401.56548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1)C[NH+]2CCN(C(C2)CCO)CC3=CC=C(C=C3)OCC

Isomeric SMILES

CCCCC1=NC=C(N1)C[NH+]2CCN([C@H](C2)CCO)CC3=CC=C(C=C3)OCC

InChI

InChI=1S/C23H36N4O2/c1-3-5-6-23-24-15-20(25-23)17-26-12-13-27(21(18-26)11-14-28)16-19-7-9-22(10-8-19)29-4-2/h7-10,15,21,28H,3-6,11-14,16-18H2,1-2H3,(H,24,25)/p+1/t21-/m0/s1