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

Systemtic Name: 2-[2-(1H-benzimidazol-2-ylmethyl)-1-(furan-2-ylmethyl)piperidin-1-ium-1-yl]ethanamine Openeye Name: 2-[2-(1H-benzimidazol-2-ylmethyl)-1-(2-furylmethyl)piperidin-1-ium-1-yl]ethanamine CAS Name: 2-[2-(1H-benzimidazol-2-ylmethyl)-1-(2-furanylmethyl)-1-piperidin-1-iumyl]ethanamine IUPAC Name: 2-[2-(1H-benzimidazol-2-ylmethyl)-1-(furan-2-ylmethyl)piperidin-1-ium-1-yl]ethanamine Traditional Name: 2-[2-(1H-benzimidazol-2-ylmethyl)-1-(2-furfuryl)piperidin-1-ium-1-yl]ethylamine Formula: C20H27N4O+ MolecularWeight: 339.45458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N4O/c21-10-12-24(15-17-7-5-13-25-17)11-4-3-6-16(24)14-20-22-18-8-1-2-9-19(18)23-20/h1-2,5,7-9,13,16H,3-4,6,10-12,14-15,21H2,(H,22,23)/q+1