[5-(hydroxymethyl)furan-2-yl]methyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-phenethyl-azanium

Systemtic Name: [5-(hydroxymethyl)furan-2-yl]methyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-phenethyl-azanium Openeye Name: [5-(hydroxymethyl)-2-furyl]methyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-phenethyl-ammonium CAS Name: [5-(hydroxymethyl)-2-furanyl]methyl-[(1-methyl-4-piperidin-1-iumyl)methyl]-phenethylammonium IUPAC Name: [5-(hydroxymethyl)furan-2-yl]methyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-phenethylazanium Traditional Name: (5-methylol-2-furyl)methyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-phenethyl-ammonium Formula: C21H32N2O2+2 MolecularWeight: 344.49098

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)C[NH+](CCC2=CC=CC=C2)CC3=CC=C(O3)CO

Isomeric SMILES

C[NH+]1CCC(CC1)C[NH+](CCC2=CC=CC=C2)CC3=CC=C(O3)CO

InChI

InChI=1S/C21H30N2O2/c1-22-12-9-19(10-13-22)15-23(14-11-18-5-3-2-4-6-18)16-20-7-8-21(17-24)25-20/h2-8,19,24H,9-17H2,1H3/p+2