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

Systemtic Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-pentan-3-yl-piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-(1-ethylpropyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-pentan-3-yl-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-pentan-3-ylpiperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(4-ethoxybenzyl)-4-(1-ethylpropyl)piperazin-4-ium-2-yl]ethanol Formula: C20H35N2O2+ MolecularWeight: 335.5041

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)[NH+]1CCN(C(C1)CCO)CC2=CC=C(C=C2)OCC

Isomeric SMILES

CCC(CC)[NH+]1CCN([C@H](C1)CCO)CC2=CC=C(C=C2)OCC

InChI

InChI=1S/C20H34N2O2/c1-4-18(5-2)22-13-12-21(19(16-22)11-14-23)15-17-7-9-20(10-8-17)24-6-3/h7-10,18-19,23H,4-6,11-16H2,1-3H3/p+1/t19-/m0/s1