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

Systemtic Name: 2-[(2S)-4-[(2-azanylpyrimidin-5-yl)methyl]-1-[(2-methylphenyl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(2-aminopyrimidin-5-yl)methyl]-1-(o-tolylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(2-amino-5-pyrimidinyl)methyl]-1-[(2-methylphenyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(2-aminopyrimidin-5-yl)methyl]-1-[(2-methylphenyl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(2-aminopyrimidin-5-yl)methyl]-1-(2-methylbenzyl)piperazin-4-ium-2-yl]ethanol Formula: C19H28N5O+ MolecularWeight: 342.45852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CC[NH+](CC2CCO)CC3=CN=C(N=C3)N

Isomeric SMILES

CC1=CC=CC=C1CN2CC[NH+](C[C@@H]2CCO)CC3=CN=C(N=C3)N

InChI

InChI=1S/C19H27N5O/c1-15-4-2-3-5-17(15)13-24-8-7-23(14-18(24)6-9-25)12-16-10-21-19(20)22-11-16/h2-5,10-11,18,25H,6-9,12-14H2,1H3,(H2,20,21,22)/p+1/t18-/m0/s1