4-[4-[[(3S)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]phenyl]-2-methyl-but-3-yn-2-ol

Systemtic Name: 4-[4-[[(3S)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]phenyl]-2-methyl-but-3-yn-2-ol Openeye Name: 4-[4-[[(3S)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]phenyl]-2-methyl-but-3-yn-2-ol CAS Name: 4-[4-[[(3S)-4-cyclohexyl-3-(2-hydroxyethyl)-1-piperazin-4-iumyl]methyl]phenyl]-2-methyl-3-butyn-2-ol IUPAC Name: 4-[4-[[(3S)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]phenyl]-2-methylbut-3-yn-2-ol Traditional Name: 4-[4-[[(3S)-4-cyclohexyl-3-(2-hydroxyethyl)piperazin-4-ium-1-yl]methyl]phenyl]-2-methyl-but-3-yn-2-ol Formula: C24H37N2O2+ MolecularWeight: 385.56278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(C=C1)CN2CC[NH+](C(C2)CCO)C3CCCCC3)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(C=C1)CN2CC[NH+]([C@H](C2)CCO)C3CCCCC3)O

InChI

InChI=1S/C24H36N2O2/c1-24(2,28)14-12-20-8-10-21(11-9-20)18-25-15-16-26(23(19-25)13-17-27)22-6-4-3-5-7-22/h8-11,22-23,27-28H,3-7,13,15-19H2,1-2H3/p+1/t23-/m0/s1