2-[(2S)-4-(1H-benzimidazol-2-ylmethyl)-1-[(2-ethoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-(1H-benzimidazol-2-ylmethyl)-1-[(2-ethoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(1H-benzimidazol-2-ylmethyl)-1-[(2-ethoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(1H-benzimidazol-2-ylmethyl)-1-[(2-ethoxyphenyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(1H-benzimidazol-2-ylmethyl)-1-[(2-ethoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(1H-benzimidazol-2-ylmethyl)-1-(2-ethoxybenzyl)piperazin-1-ium-2-yl]ethanol Formula: C23H31N4O2+ MolecularWeight: 395.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+]2CCN(CC2CCO)CC3=NC4=CC=CC=C4N3

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+]2CCN(C[C@@H]2CCO)CC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C23H30N4O2/c1-2-29-22-10-6-3-7-18(22)15-27-13-12-26(16-19(27)11-14-28)17-23-24-20-8-4-5-9-21(20)25-23/h3-10,19,28H,2,11-17H2,1H3,(H,24,25)/p+1/t19-/m0/s1