2-[(2S)-4-[(2-azanylpyrimidin-5-yl)methyl]-1-(3-methylbutyl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(2-azanylpyrimidin-5-yl)methyl]-1-(3-methylbutyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(2-aminopyrimidin-5-yl)methyl]-1-isopentyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(2-amino-5-pyrimidinyl)methyl]-1-(3-methylbutyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(2-aminopyrimidin-5-yl)methyl]-1-(3-methylbutyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(2-aminopyrimidin-5-yl)methyl]-1-isoamyl-piperazin-1-ium-2-yl]ethanol Formula: C16H30N5O+ MolecularWeight: 308.4423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH+]1CCN(CC1CCO)CC2=CN=C(N=C2)N

Isomeric SMILES

CC(C)CC[NH+]1CCN(C[C@@H]1CCO)CC2=CN=C(N=C2)N

InChI

InChI=1S/C16H29N5O/c1-13(2)3-5-21-7-6-20(12-15(21)4-8-22)11-14-9-18-16(17)19-10-14/h9-10,13,15,22H,3-8,11-12H2,1-2H3,(H2,17,18,19)/p+1/t15-/m0/s1