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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](C(C1)CC2=NC3=CC=CC=C3N2)(CCCC#N)CC4=CC=CO4

Isomeric SMILES

C1CC[N+](C(C1)CC2=NC3=CC=CC=C3N2)(CCCC#N)CC4=CC=CO4

InChI

InChI=1S/C22H27N4O/c23-12-4-6-14-26(17-19-9-7-15-27-19)13-5-3-8-18(26)16-22-24-20-10-1-2-11-21(20)25-22/h1-2,7,9-11,15,18H,3-6,8,13-14,16-17H2,(H,24,25)/q+1