2-[(2S)-1-cyclohexyl-4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-cyclohexyl-4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-cyclohexyl-4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-cyclohexyl-4-[(1-methyl-2-benzimidazolyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-cyclohexyl-4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-cyclohexyl-4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Formula: C21H33N4O+ MolecularWeight: 357.51292

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1CN3CC[NH+](C(C3)CCO)C4CCCCC4

Isomeric SMILES

CN1C2=CC=CC=C2N=C1CN3CC[NH+]([C@H](C3)CCO)C4CCCCC4

InChI

InChI=1S/C21H32N4O/c1-23-20-10-6-5-9-19(20)22-21(23)16-24-12-13-25(18(15-24)11-14-26)17-7-3-2-4-8-17/h5-6,9-10,17-18,26H,2-4,7-8,11-16H2,1H3/p+1/t18-/m0/s1