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

Systemtic Name: 2-[(2S)-4-[(2-butyl-1H-imidazol-3-ium-5-yl)methyl]-1-cyclohexyl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(2-butyl-1H-imidazol-3-ium-5-yl)methyl]-1-cyclohexyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(2-butyl-1H-imidazol-3-ium-5-yl)methyl]-1-cyclohexyl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(2-butyl-1H-imidazol-3-ium-5-yl)methyl]-1-cyclohexylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(2-butyl-1H-imidazol-3-ium-5-yl)methyl]-1-cyclohexyl-piperazin-1-ium-2-yl]ethanol Formula: C20H38N4O+2 MolecularWeight: 350.54192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[NH+]C=C(N1)CN2CC[NH+](C(C2)CCO)C3CCCCC3

Isomeric SMILES

CCCCC1=[NH+]C=C(N1)CN2CC[NH+]([C@H](C2)CCO)C3CCCCC3

InChI

InChI=1S/C20H36N4O/c1-2-3-9-20-21-14-17(22-20)15-23-11-12-24(19(16-23)10-13-25)18-7-5-4-6-8-18/h14,18-19,25H,2-13,15-16H2,1H3,(H,21,22)/p+2/t19-/m0/s1