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

Systemtic Name: 2-[(2S)-4-[(2-azanylpyrimidin-5-yl)methyl]-1-(3-methylbut-2-enyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(2-aminopyrimidin-5-yl)methyl]-1-(3-methylbut-2-enyl)piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(2-amino-5-pyrimidinyl)methyl]-1-(3-methylbut-2-enyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(2-aminopyrimidin-5-yl)methyl]-1-(3-methylbut-2-enyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(2-aminopyrimidin-5-yl)methyl]-1-(3-methylbut-2-enyl)piperazin-1-ium-2-yl]ethanol Formula: C16H28N5O+ MolecularWeight: 306.42642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N5O/c1-13(2)3-5-21-7-6-20(12-15(21)4-8-22)11-14-9-18-16(17)19-10-14/h3,9-10,15,22H,4-8,11-12H2,1-2H3,(H2,17,18,19)/p+1/t15-/m0/s1