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

Systemtic Name: 2-[(2S)-4-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-1-propan-2-yl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(1-isopentylbenzimidazol-2-yl)methyl]-1-isopropyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[[1-(3-methylbutyl)-2-benzimidazolyl]methyl]-1-propan-2-yl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-1-propan-2-ylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[(1-isoamylbenzimidazol-2-yl)methyl]-1-isopropyl-piperazin-1-ium-2-yl]ethanol Formula: C22H37N4O+ MolecularWeight: 373.55538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36N4O/c1-17(2)9-11-26-21-8-6-5-7-20(21)23-22(26)16-24-12-13-25(18(3)4)19(15-24)10-14-27/h5-8,17-19,27H,9-16H2,1-4H3/p+1/t19-/m0/s1