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

Systemtic Name: 4-[[(3S)-4-cyclopentyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-2,6-dimethyl-phenol Openeye Name: 4-[[(3S)-4-cyclopentyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-2,6-dimethyl-phenol CAS Name: 4-[[(3S)-4-cyclopentyl-3-(2-hydroxyethyl)-1-piperazin-4-iumyl]methyl]-2,6-dimethylphenol IUPAC Name: 4-[[(3S)-4-cyclopentyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-2,6-dimethylphenol Traditional Name: 4-[[(3S)-4-cyclopentyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]-2,6-dimethyl-phenol Formula: C20H33N2O2+ MolecularWeight: 333.48822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)CN2CC[NH+](C(C2)CCO)C3CCCC3

Isomeric SMILES

CC1=CC(=CC(=C1O)C)CN2CC[NH+]([C@H](C2)CCO)C3CCCC3

InChI

InChI=1S/C20H32N2O2/c1-15-11-17(12-16(2)20(15)24)13-21-8-9-22(18-5-3-4-6-18)19(14-21)7-10-23/h11-12,18-19,23-24H,3-10,13-14H2,1-2H3/p+1/t19-/m0/s1