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

Systemtic Name: 2-[(2S)-1,4-bis[(6-methylpyridin-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1,4-bis[(6-methyl-2-pyridyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1,4-bis[(6-methyl-2-pyridinyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1,4-bis[(6-methylpyridin-2-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1,4-bis[(6-methyl-2-pyridyl)methyl]piperazin-4-ium-2-yl]ethanol Formula: C20H29N4O+ MolecularWeight: 341.47046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)C[NH+]2CCN(C(C2)CCO)CC3=CC=CC(=N3)C

Isomeric SMILES

CC1=NC(=CC=C1)C[NH+]2CCN([C@H](C2)CCO)CC3=CC=CC(=N3)C

InChI

InChI=1S/C20H28N4O/c1-16-5-3-7-18(21-16)13-23-10-11-24(20(15-23)9-12-25)14-19-8-4-6-17(2)22-19/h3-8,20,25H,9-15H2,1-2H3/p+1/t20-/m0/s1