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

Systemtic Name: 4-[[(3S)-3-(2-hydroxyethyl)-4-(3-methylbut-2-enyl)piperazin-4-ium-1-yl]methyl]-2,6-dimethyl-phenol Openeye Name: 4-[[(3S)-3-(2-hydroxyethyl)-4-(3-methylbut-2-enyl)piperazin-4-ium-1-yl]methyl]-2,6-dimethyl-phenol CAS Name: 4-[[(3S)-3-(2-hydroxyethyl)-4-(3-methylbut-2-enyl)-1-piperazin-4-iumyl]methyl]-2,6-dimethylphenol IUPAC Name: 4-[[(3S)-3-(2-hydroxyethyl)-4-(3-methylbut-2-enyl)piperazin-4-ium-1-yl]methyl]-2,6-dimethylphenol Traditional Name: 4-[[(3S)-3-(2-hydroxyethyl)-4-(3-methylbut-2-enyl)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)CC=C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H32N2O2/c1-15(2)5-7-22-9-8-21(14-19(22)6-10-23)13-18-11-16(3)20(24)17(4)12-18/h5,11-12,19,23-24H,6-10,13-14H2,1-4H3/p+1/t19-/m0/s1