2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-4-pentan-3-yl-piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-4-pentan-3-yl-piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-4-(1-ethylpropyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-4-pentan-3-yl-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-4-pentan-3-ylpiperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(3,5-dimethoxybenzyl)-4-(1-ethylpropyl)piperazin-4-ium-2-yl]ethanol Formula: C20H35N2O3+ MolecularWeight: 351.5035

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H34N2O3/c1-5-17(6-2)22-9-8-21(18(15-22)7-10-23)14-16-11-19(24-3)13-20(12-16)25-4/h11-13,17-18,23H,5-10,14-15H2,1-4H3/p+1/t18-/m0/s1