2-[[(3S)-3-(2-hydroxyethyl)-4-methyl-piperazin-4-ium-1-yl]methyl]-5-methoxy-phenol

Systemtic Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-methyl-piperazin-4-ium-1-yl]methyl]-5-methoxy-phenol Openeye Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-methyl-piperazin-4-ium-1-yl]methyl]-5-methoxy-phenol CAS Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-methyl-1-piperazin-4-iumyl]methyl]-5-methoxyphenol IUPAC Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-methylpiperazin-4-ium-1-yl]methyl]-5-methoxyphenol Traditional Name: 2-[[(3S)-3-(2-hydroxyethyl)-4-methyl-piperazin-4-ium-1-yl]methyl]-5-methoxy-phenol Formula: C15H25N2O3+ MolecularWeight: 281.3706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24N2O3/c1-16-6-7-17(11-13(16)5-8-18)10-12-3-4-14(20-2)9-15(12)19/h3-4,9,13,18-19H,5-8,10-11H2,1-2H3/p+1/t13-/m0/s1