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

Systemtic Name: N-methyl-N-[2-oxidanylidene-2-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]ethyl]furan-2-carboxamide Openeye Name: N-methyl-N-[2-oxo-2-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]ethyl]furan-2-carboxamide CAS Name: N-methyl-N-[2-oxo-2-[[4-(1-piperidin-1-iumylmethyl)phenyl]methylamino]ethyl]-2-furancarboxamide IUPAC Name: N-methyl-N-[2-oxo-2-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]ethyl]furan-2-carboxamide Traditional Name: N-[2-keto-2-[[4-(piperidin-1-ium-1-ylmethyl)benzyl]amino]ethyl]-N-methyl-2-furamide Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NCC1=CC=C(C=C1)C[NH+]2CCCCC2)C(=O)C3=CC=CO3

Isomeric SMILES

CN(CC(=O)NCC1=CC=C(C=C1)C[NH+]2CCCCC2)C(=O)C3=CC=CO3

InChI

InChI=1S/C21H27N3O3/c1-23(21(26)19-6-5-13-27-19)16-20(25)22-14-17-7-9-18(10-8-17)15-24-11-3-2-4-12-24/h5-10,13H,2-4,11-12,14-16H2,1H3,(H,22,25)/p+1