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

Systemtic Name: 4-[[(3S)-4-cyclopentyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-2,6-dimethoxy-phenol Openeye Name: 4-[[(3S)-4-cyclopentyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-2,6-dimethoxy-phenol CAS Name: 4-[[(3S)-4-cyclopentyl-3-(2-hydroxyethyl)-1-piperazin-4-iumyl]methyl]-2,6-dimethoxyphenol IUPAC Name: 4-[[(3S)-4-cyclopentyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-2,6-dimethoxyphenol Traditional Name: 4-[[(3S)-4-cyclopentyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-2,6-dimethoxy-phenol Formula: C20H33N2O4+ MolecularWeight: 365.48702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)CN2CC[NH+](C(C2)CCO)C3CCCC3

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)CN2CC[NH+]([C@H](C2)CCO)C3CCCC3

InChI

InChI=1S/C20H32N2O4/c1-25-18-11-15(12-19(26-2)20(18)24)13-21-8-9-22(16-5-3-4-6-16)17(14-21)7-10-23/h11-12,16-17,23-24H,3-10,13-14H2,1-2H3/p+1/t17-/m0/s1