2-[(2S)-4-[[2-(1H-imidazol-2-yl)phenyl]methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[[2-(1H-imidazol-2-yl)phenyl]methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[[2-(1H-imidazol-2-yl)phenyl]methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[[2-(1H-imidazol-2-yl)phenyl]methyl]-1-methyl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[[2-(1H-imidazol-2-yl)phenyl]methyl]-1-methylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[2-(1H-imidazol-2-yl)benzyl]-1-methyl-piperazin-1-ium-2-yl]ethanol Formula: C17H25N4O+ MolecularWeight: 301.4066

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1CCO)CC2=CC=CC=C2C3=NC=CN3

Isomeric SMILES

C[NH+]1CCN(C[C@@H]1CCO)CC2=CC=CC=C2C3=NC=CN3

InChI

InChI=1S/C17H24N4O/c1-20-9-10-21(13-15(20)6-11-22)12-14-4-2-3-5-16(14)17-18-7-8-19-17/h2-5,7-8,15,22H,6,9-13H2,1H3,(H,18,19)/p+1/t15-/m0/s1