1-[2-[[2-(furan-2-ylmethylcarbamoyl)phenyl]-methyl-amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[[2-(furan-2-ylmethylcarbamoyl)phenyl]-methyl-amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[2-(2-furylmethylcarbamoyl)-N-methyl-anilino]-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[2-[(2-furanylmethylamino)-oxomethyl]-N-methylanilino]-2-oxoethyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[2-(2-furfurylcarbamoyl)-N-methyl-anilino]-2-keto-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C27H31N4O4+ MolecularWeight: 475.55944

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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)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)NCC2=CC=CO2)C(=O)C[NH+]3CCC(CC3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C27H30N4O4/c1-30(24-12-6-5-11-23(24)27(34)28-18-22-10-7-17-35-22)25(32)19-31-15-13-20(14-16-31)26(33)29-21-8-3-2-4-9-21/h2-12,17,20H,13-16,18-19H2,1H3,(H,28,34)(H,29,33)/p+1