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

Systemtic Name: 2-[(2S)-1-[(2-methylphenyl)methyl]-4-[(6-methylpyridin-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(6-methyl-2-pyridyl)methyl]-1-(o-tolylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(2-methylphenyl)methyl]-4-[(6-methyl-2-pyridinyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(2-methylphenyl)methyl]-4-[(6-methylpyridin-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(2-methylbenzyl)-4-[(6-methyl-2-pyridyl)methyl]piperazin-4-ium-2-yl]ethanol Formula: C21H30N3O+ MolecularWeight: 340.4824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)C[NH+]2CCN(C(C2)CCO)CC3=CC=CC=C3C

Isomeric SMILES

CC1=NC(=CC=C1)C[NH+]2CCN([C@H](C2)CCO)CC3=CC=CC=C3C

InChI

InChI=1S/C21H29N3O/c1-17-6-3-4-8-19(17)14-24-12-11-23(16-21(24)10-13-25)15-20-9-5-7-18(2)22-20/h3-9,21,25H,10-16H2,1-2H3/p+1/t21-/m0/s1