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

Systemtic Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(4-ethoxyphenyl)methyl]-4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(4-ethoxybenzyl)-4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanol Formula: C22H35N4O2+ MolecularWeight: 387.5389

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(N1)C)CN2CC[NH+](C(C2)CCO)CC3=CC=C(C=C3)OCC

Isomeric SMILES

CCC1=NC(=C(N1)C)CN2CC[NH+]([C@H](C2)CCO)CC3=CC=C(C=C3)OCC

InChI

InChI=1S/C22H34N4O2/c1-4-22-23-17(3)21(24-22)16-25-11-12-26(19(15-25)10-13-27)14-18-6-8-20(9-7-18)28-5-2/h6-9,19,27H,4-5,10-16H2,1-3H3,(H,23,24)/p+1/t19-/m0/s1