4-[2-(1H-benzimidazol-2-yl)-1-(furan-2-ylmethyl)-2-methyl-piperidin-1-ium-1-yl]butanenitrile

Systemtic Name: 4-[2-(1H-benzimidazol-2-yl)-1-(furan-2-ylmethyl)-2-methyl-piperidin-1-ium-1-yl]butanenitrile Openeye Name: 4-[2-(1H-benzimidazol-2-yl)-1-(2-furylmethyl)-2-methyl-piperidin-1-ium-1-yl]butanenitrile CAS Name: 4-[2-(1H-benzimidazol-2-yl)-1-(2-furanylmethyl)-2-methyl-1-piperidin-1-iumyl]butanenitrile IUPAC Name: 4-[2-(1H-benzimidazol-2-yl)-1-(furan-2-ylmethyl)-2-methylpiperidin-1-ium-1-yl]butanenitrile Traditional Name: 4-[2-(1H-benzimidazol-2-yl)-1-(2-furfuryl)-2-methyl-piperidin-1-ium-1-yl]butyronitrile Formula: C22H27N4O+ MolecularWeight: 363.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC[N+]1(CCCC#N)CC2=CC=CO2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1(CCCC[N+]1(CCCC#N)CC2=CC=CO2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H27N4O/c1-22(21-24-19-10-2-3-11-20(19)25-21)12-4-6-14-26(22,15-7-5-13-23)17-18-9-8-16-27-18/h2-3,8-11,16H,4-7,12,14-15,17H2,1H3,(H,24,25)/q+1