N-(furan-2-ylmethyl)-2-[methyl-[2-(4-phenylmethoxypiperidin-1-ium-1-yl)ethanoyl]amino]benzamide

Systemtic Name: N-(furan-2-ylmethyl)-2-[methyl-[2-(4-phenylmethoxypiperidin-1-ium-1-yl)ethanoyl]amino]benzamide Openeye Name: 2-[[2-(4-benzyloxypiperidin-1-ium-1-yl)acetyl]-methyl-amino]-N-(2-furylmethyl)benzamide CAS Name: N-(2-furanylmethyl)-2-[methyl-[1-oxo-2-(4-phenylmethoxy-1-piperidin-1-iumyl)ethyl]amino]benzamide IUPAC Name: N-(furan-2-ylmethyl)-2-[methyl-[2-(4-phenylmethoxypiperidin-1-ium-1-yl)acetyl]amino]benzamide Traditional Name: 2-[[2-(4-benzoxypiperidin-1-ium-1-yl)acetyl]-methyl-amino]-N-(2-furfuryl)benzamide Formula: C27H32N3O4+ MolecularWeight: 462.56068

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)NCC2=CC=CO2)C(=O)C[NH+]3CCC(CC3)OCC4=CC=CC=C4

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)NCC2=CC=CO2)C(=O)C[NH+]3CCC(CC3)OCC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O4/c1-29(25-12-6-5-11-24(25)27(32)28-18-23-10-7-17-33-23)26(31)19-30-15-13-22(14-16-30)34-20-21-8-3-2-4-9-21/h2-12,17,22H,13-16,18-20H2,1H3,(H,28,32)/p+1