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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C[NH+]1CC2=CN=C(N=C2)N)CCO)CCC3=CC=CC=C3

Isomeric SMILES

C1CN([C@H](C[NH+]1CC2=CN=C(N=C2)N)CCO)CCC3=CC=CC=C3

InChI

InChI=1S/C19H27N5O/c20-19-21-12-17(13-22-19)14-23-9-10-24(18(15-23)7-11-25)8-6-16-4-2-1-3-5-16/h1-5,12-13,18,25H,6-11,14-15H2,(H2,20,21,22)/p+1/t18-/m0/s1