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

Systemtic Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-[(1-ethylbenzimidazol-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-[(1-ethylbenzimidazol-2-yl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-[(1-ethyl-2-benzimidazolyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(2-ethoxyphenyl)methyl]-4-[(1-ethylbenzimidazol-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(2-ethoxybenzyl)-4-[(1-ethylbenzimidazol-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Formula: C25H35N4O2+ MolecularWeight: 423.571

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1CN3CC[NH+](C(C3)CCO)CC4=CC=CC=C4OCC

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1CN3CC[NH+]([C@H](C3)CCO)CC4=CC=CC=C4OCC

InChI

InChI=1S/C25H34N4O2/c1-3-29-23-11-7-6-10-22(23)26-25(29)19-27-14-15-28(21(18-27)13-16-30)17-20-9-5-8-12-24(20)31-4-2/h5-12,21,30H,3-4,13-19H2,1-2H3/p+1/t21-/m0/s1