N-[1-[2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]furan-2-carboxamide

Systemtic Name: N-[1-[2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]furan-2-carboxamide Openeye Name: N-[1-[2-(4-methoxy-2-nitro-anilino)-2-oxo-ethyl]piperidin-1-ium-4-yl]furan-2-carboxamide CAS Name: N-[1-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]-4-piperidin-1-iumyl]-2-furancarboxamide IUPAC Name: N-[1-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]piperidin-1-ium-4-yl]furan-2-carboxamide Traditional Name: N-[1-[2-keto-2-(4-methoxy-2-nitro-anilino)ethyl]piperidin-1-ium-4-yl]-2-furamide Formula: C19H23N4O6+ MolecularWeight: 403.40912

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)C[NH+]2CCC(CC2)NC(=O)C3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)C[NH+]2CCC(CC2)NC(=O)C3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O6/c1-28-14-4-5-15(16(11-14)23(26)27)21-18(24)12-22-8-6-13(7-9-22)20-19(25)17-3-2-10-29-17/h2-5,10-11,13H,6-9,12H2,1H3,(H,20,25)(H,21,24)/p+1