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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N4O/c1-20(19-22-17-8-2-3-9-18(17)23-19)10-4-5-12-24(20,13-11-21)15-16-7-6-14-25-16/h2-3,6-9,14H,4-5,10-13,15,21H2,1H3,(H,22,23)/q+1