1-[2-[(3-cyano-4,5-dimethyl-furan-2-yl)amino]-2-oxidanylidene-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[(3-cyano-4,5-dimethyl-furan-2-yl)amino]-2-oxidanylidene-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[(3-cyano-4,5-dimethyl-2-furyl)amino]-2-oxo-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[(3-cyano-4,5-dimethyl-2-furanyl)amino]-2-oxoethyl]-N-(2-hydroxyphenyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[(3-cyano-4,5-dimethyl-2-furyl)amino]-2-keto-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Formula: C21H25N4O4+ MolecularWeight: 397.4476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1C#N)NC(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3O)C

Isomeric SMILES

CC1=C(OC(=C1C#N)NC(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3O)C

InChI

InChI=1S/C21H24N4O4/c1-13-14(2)29-21(16(13)11-22)24-19(27)12-25-9-7-15(8-10-25)20(28)23-17-5-3-4-6-18(17)26/h3-6,15,26H,7-10,12H2,1-2H3,(H,23,28)(H,24,27)/p+1