2-[(2S)-4-(1H-benzimidazol-2-ylmethyl)-1-(3-methylbutyl)piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-(1H-benzimidazol-2-ylmethyl)-1-(3-methylbutyl)piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(1H-benzimidazol-2-ylmethyl)-1-isopentyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(1H-benzimidazol-2-ylmethyl)-1-(3-methylbutyl)-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(1H-benzimidazol-2-ylmethyl)-1-(3-methylbutyl)piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(1H-benzimidazol-2-ylmethyl)-1-isoamyl-piperazin-1-ium-2-yl]ethanol Formula: C19H31N4O+ MolecularWeight: 331.47564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH+]1CCN(CC1CCO)CC2=NC3=CC=CC=C3N2

Isomeric SMILES

CC(C)CC[NH+]1CCN(C[C@@H]1CCO)CC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C19H30N4O/c1-15(2)7-9-23-11-10-22(13-16(23)8-12-24)14-19-20-17-5-3-4-6-18(17)21-19/h3-6,15-16,24H,7-14H2,1-2H3,(H,20,21)/p+1/t16-/m0/s1