5-[[(3S)-3-(2-hydroxyethyl)-4-[(6-methylpyridin-2-yl)methyl]piperazin-4-ium-1-yl]methyl]-2-methoxy-phenol

Systemtic Name: 5-[[(3S)-3-(2-hydroxyethyl)-4-[(6-methylpyridin-2-yl)methyl]piperazin-4-ium-1-yl]methyl]-2-methoxy-phenol Openeye Name: 5-[[(3S)-3-(2-hydroxyethyl)-4-[(6-methyl-2-pyridyl)methyl]piperazin-4-ium-1-yl]methyl]-2-methoxy-phenol CAS Name: 5-[[(3S)-3-(2-hydroxyethyl)-4-[(6-methyl-2-pyridinyl)methyl]-1-piperazin-4-iumyl]methyl]-2-methoxyphenol IUPAC Name: 5-[[(3S)-3-(2-hydroxyethyl)-4-[(6-methylpyridin-2-yl)methyl]piperazin-4-ium-1-yl]methyl]-2-methoxyphenol Traditional Name: 5-[[(3S)-3-(2-hydroxyethyl)-4-[(6-methyl-2-pyridyl)methyl]piperazin-4-ium-1-yl]methyl]-2-methoxy-phenol Formula: C21H30N3O3+ MolecularWeight: 372.4812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O3/c1-16-4-3-5-18(22-16)14-24-10-9-23(15-19(24)8-11-25)13-17-6-7-21(27-2)20(26)12-17/h3-7,12,19,25-26H,8-11,13-15H2,1-2H3/p+1/t19-/m0/s1