4-[[(3S)-3-(2-hydroxyethyl)-4-(3-methylbutyl)piperazin-4-ium-1-yl]methyl]-2,6-dimethoxy-phenol

Systemtic Name: 4-[[(3S)-3-(2-hydroxyethyl)-4-(3-methylbutyl)piperazin-4-ium-1-yl]methyl]-2,6-dimethoxy-phenol Openeye Name: 4-[[(3S)-3-(2-hydroxyethyl)-4-isopentyl-piperazin-4-ium-1-yl]methyl]-2,6-dimethoxy-phenol CAS Name: 4-[[(3S)-3-(2-hydroxyethyl)-4-(3-methylbutyl)-1-piperazin-4-iumyl]methyl]-2,6-dimethoxyphenol IUPAC Name: 4-[[(3S)-3-(2-hydroxyethyl)-4-(3-methylbutyl)piperazin-4-ium-1-yl]methyl]-2,6-dimethoxyphenol Traditional Name: 4-[[(3S)-3-(2-hydroxyethyl)-4-isoamyl-piperazin-4-ium-1-yl]methyl]-2,6-dimethoxy-phenol Formula: C20H35N2O4+ MolecularWeight: 367.5029

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH+]1CCN(CC1CCO)CC2=CC(=C(C(=C2)OC)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H34N2O4/c1-15(2)5-7-22-9-8-21(14-17(22)6-10-23)13-16-11-18(25-3)20(24)19(12-16)26-4/h11-12,15,17,23-24H,5-10,13-14H2,1-4H3/p+1/t17-/m0/s1