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

Systemtic Name: 3-[[(3S)-3-(2-hydroxyethyl)-4-(3-methylbutyl)piperazin-4-ium-1-yl]methyl]phenol Openeye Name: 3-[[(3S)-3-(2-hydroxyethyl)-4-isopentyl-piperazin-4-ium-1-yl]methyl]phenol CAS Name: 3-[[(3S)-3-(2-hydroxyethyl)-4-(3-methylbutyl)-1-piperazin-4-iumyl]methyl]phenol IUPAC Name: 3-[[(3S)-3-(2-hydroxyethyl)-4-(3-methylbutyl)piperazin-4-ium-1-yl]methyl]phenol Traditional Name: 3-[[(3S)-3-(2-hydroxyethyl)-4-isoamyl-piperazin-4-ium-1-yl]methyl]phenol Formula: C18H31N2O2+ MolecularWeight: 307.45094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2O2/c1-15(2)6-8-20-10-9-19(14-17(20)7-11-21)13-16-4-3-5-18(22)12-16/h3-5,12,15,17,21-22H,6-11,13-14H2,1-2H3/p+1/t17-/m0/s1