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

Systemtic Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-4-ium-1-yl]methyl]-4-methoxy-phenol Openeye Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-isobutyl-piperazin-4-ium-1-yl]methyl]-4-methoxy-phenol CAS Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-(2-methylpropyl)-1-piperazin-4-iumyl]methyl]-4-methoxyphenol IUPAC Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-4-ium-1-yl]methyl]-4-methoxyphenol Traditional Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-isobutyl-piperazin-4-ium-1-yl]methyl]-4-methoxy-phenol Formula: C18H31N2O3+ MolecularWeight: 323.45034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2O3/c1-14(2)11-20-8-7-19(13-16(20)6-9-21)12-15-10-17(23-3)4-5-18(15)22/h4-5,10,14,16,21-22H,6-9,11-13H2,1-3H3/p+1/t16-/m0/s1