2-[(2S)-4-[(2-butyl-1H-imidazol-3-ium-5-yl)methyl]-1-phenethyl-piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(2-butyl-1H-imidazol-3-ium-5-yl)methyl]-1-phenethyl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(2-butyl-1H-imidazol-3-ium-5-yl)methyl]-1-phenethyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(2-butyl-1H-imidazol-3-ium-5-yl)methyl]-1-phenethyl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(2-butyl-1H-imidazol-3-ium-5-yl)methyl]-1-phenethylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(2-butyl-1H-imidazol-3-ium-5-yl)methyl]-1-phenethyl-piperazin-1-ium-2-yl]ethanol Formula: C22H36N4O+2 MolecularWeight: 372.54744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[NH+]C=C(N1)CN2CC[NH+](C(C2)CCO)CCC3=CC=CC=C3

Isomeric SMILES

CCCCC1=[NH+]C=C(N1)CN2CC[NH+]([C@H](C2)CCO)CCC3=CC=CC=C3

InChI

InChI=1S/C22H34N4O/c1-2-3-9-22-23-16-20(24-22)17-25-13-14-26(21(18-25)11-15-27)12-10-19-7-5-4-6-8-19/h4-8,16,21,27H,2-3,9-15,17-18H2,1H3,(H,23,24)/p+2/t21-/m0/s1