N-[2-methyl-5-[[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]carbamoyl]phenyl]furan-2-carboxamide

Systemtic Name: N-[2-methyl-5-[[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]carbamoyl]phenyl]furan-2-carboxamide Openeye Name: N-[5-[[1-(2-anilino-2-oxo-ethyl)piperidin-1-ium-4-yl]carbamoyl]-2-methyl-phenyl]furan-2-carboxamide CAS Name: N-[5-[[[1-(2-anilino-2-oxoethyl)-4-piperidin-1-iumyl]amino]-oxomethyl]-2-methylphenyl]-2-furancarboxamide IUPAC Name: N-[5-[[1-(2-anilino-2-oxoethyl)piperidin-1-ium-4-yl]carbamoyl]-2-methylphenyl]furan-2-carboxamide Traditional Name: N-[5-[[1-(2-anilino-2-keto-ethyl)piperidin-1-ium-4-yl]carbamoyl]-2-methyl-phenyl]-2-furamide Formula: C26H29N4O4+ MolecularWeight: 461.53286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3)NC(=O)C4=CC=CO4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C26H28N4O4/c1-18-9-10-19(16-22(18)29-26(33)23-8-5-15-34-23)25(32)28-21-11-13-30(14-12-21)17-24(31)27-20-6-3-2-4-7-20/h2-10,15-16,21H,11-14,17H2,1H3,(H,27,31)(H,28,32)(H,29,33)/p+1