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

Systemtic Name: 2-[(2S)-4-[(2-azanylpyrimidin-5-yl)methyl]-1-[(4-ethoxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(2-aminopyrimidin-5-yl)methyl]-1-[(4-ethoxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(2-amino-5-pyrimidinyl)methyl]-1-[(4-ethoxyphenyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(2-aminopyrimidin-5-yl)methyl]-1-[(4-ethoxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(2-aminopyrimidin-5-yl)methyl]-1-(4-ethoxybenzyl)piperazin-4-ium-2-yl]ethanol Formula: C20H30N5O2+ MolecularWeight: 372.4845

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CC[NH+](CC2CCO)CC3=CN=C(N=C3)N

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=CN=C(N=C3)N

InChI

InChI=1S/C20H29N5O2/c1-2-27-19-5-3-16(4-6-19)14-25-9-8-24(15-18(25)7-10-26)13-17-11-22-20(21)23-12-17/h3-6,11-12,18,26H,2,7-10,13-15H2,1H3,(H2,21,22,23)/p+1/t18-/m0/s1