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

Systemtic Name: 2-[(2S)-1-[(6-methylpyridin-2-yl)methyl]-4-[(3-methylsulfanylphenyl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(6-methyl-2-pyridyl)methyl]-4-[(3-methylsulfanylphenyl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(6-methyl-2-pyridinyl)methyl]-4-[[3-(methylthio)phenyl]methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(6-methylpyridin-2-yl)methyl]-4-[(3-methylsulfanylphenyl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-[(6-methyl-2-pyridyl)methyl]-4-[3-(methylthio)benzyl]piperazin-1-ium-2-yl]ethanol Formula: C21H30N3OS+ MolecularWeight: 372.5474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3OS/c1-17-5-3-7-19(22-17)15-24-11-10-23(16-20(24)9-12-25)14-18-6-4-8-21(13-18)26-2/h3-8,13,20,25H,9-12,14-16H2,1-2H3/p+1/t20-/m0/s1