2-[(2S)-1-methyl-4-[(2-methylpyrimidin-5-yl)methyl]piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-methyl-4-[(2-methylpyrimidin-5-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-methyl-4-[(2-methylpyrimidin-5-yl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-methyl-4-[(2-methyl-5-pyrimidinyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-methyl-4-[(2-methylpyrimidin-5-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-methyl-4-[(2-methylpyrimidin-5-yl)methyl]piperazin-4-ium-2-yl]ethanol Formula: C13H23N4O+ MolecularWeight: 251.34792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=N1)C[NH+]2CCN(C(C2)CCO)C

Isomeric SMILES

CC1=NC=C(C=N1)C[NH+]2CCN([C@H](C2)CCO)C

InChI

InChI=1S/C13H22N4O/c1-11-14-7-12(8-15-11)9-17-5-4-16(2)13(10-17)3-6-18/h7-8,13,18H,3-6,9-10H2,1-2H3/p+1/t13-/m0/s1