2-[(2S)-1-methyl-4-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-methyl-4-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(1-isobutylbenzimidazol-2-yl)methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-methyl-4-[[1-(2-methylpropyl)-2-benzimidazolyl]methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-methyl-4-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(1-isobutylbenzimidazol-2-yl)methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol Formula: C19H31N4O+ MolecularWeight: 331.47564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=CC=CC=C2N=C1CN3CC[NH+](C(C3)CCO)C

Isomeric SMILES

CC(C)CN1C2=CC=CC=C2N=C1CN3CC[NH+]([C@H](C3)CCO)C

InChI

InChI=1S/C19H30N4O/c1-15(2)12-23-18-7-5-4-6-17(18)20-19(23)14-22-10-9-21(3)16(13-22)8-11-24/h4-7,15-16,24H,8-14H2,1-3H3/p+1/t16-/m0/s1