[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]-phenethyl-(phenylmethyl)azanium

Systemtic Name: [1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]-phenethyl-(phenylmethyl)azanium Openeye Name: benzyl-[1-(2-furylmethyl)piperidin-1-ium-4-yl]-phenethyl-ammonium CAS Name: [1-(2-furanylmethyl)-4-piperidin-1-iumyl]-phenethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]-phenethylazanium Traditional Name: benzyl-[1-(2-furfuryl)piperidin-1-ium-4-yl]-phenethyl-ammonium Formula: C25H32N2O+2 MolecularWeight: 376.53438

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH+](CCC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CC=CO4

Isomeric SMILES

C1C[NH+](CCC1[NH+](CCC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CC=CO4

InChI

InChI=1S/C25H30N2O/c1-3-8-22(9-4-1)13-18-27(20-23-10-5-2-6-11-23)24-14-16-26(17-15-24)21-25-12-7-19-28-25/h1-12,19,24H,13-18,20-21H2/p+2