3-[[(3S)-3-(2-hydroxyethyl)-4-[(6-methylpyridin-2-yl)methyl]piperazin-4-ium-1-yl]methyl]phenol

Systemtic Name: 3-[[(3S)-3-(2-hydroxyethyl)-4-[(6-methylpyridin-2-yl)methyl]piperazin-4-ium-1-yl]methyl]phenol Openeye Name: 3-[[(3S)-3-(2-hydroxyethyl)-4-[(6-methyl-2-pyridyl)methyl]piperazin-4-ium-1-yl]methyl]phenol CAS Name: 3-[[(3S)-3-(2-hydroxyethyl)-4-[(6-methyl-2-pyridinyl)methyl]-1-piperazin-4-iumyl]methyl]phenol IUPAC Name: 3-[[(3S)-3-(2-hydroxyethyl)-4-[(6-methylpyridin-2-yl)methyl]piperazin-4-ium-1-yl]methyl]phenol Traditional Name: 3-[[(3S)-3-(2-hydroxyethyl)-4-[(6-methyl-2-pyridyl)methyl]piperazin-4-ium-1-yl]methyl]phenol Formula: C20H28N3O2+ MolecularWeight: 342.45522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)C[NH+]2CCN(CC2CCO)CC3=CC(=CC=C3)O

Isomeric SMILES

CC1=NC(=CC=C1)C[NH+]2CCN(C[C@@H]2CCO)CC3=CC(=CC=C3)O

InChI

InChI=1S/C20H27N3O2/c1-16-4-2-6-18(21-16)14-23-10-9-22(15-19(23)8-11-24)13-17-5-3-7-20(25)12-17/h2-7,12,19,24-25H,8-11,13-15H2,1H3/p+1/t19-/m0/s1