1-[2-[[3-(4-methylphenyl)-4-oxidanylidene-chromen-2-yl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[[3-(4-methylphenyl)-4-oxidanylidene-chromen-2-yl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-oxo-2-[[4-oxo-3-(p-tolyl)chromen-2-yl]amino]ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[[3-(4-methylphenyl)-4-oxo-1-benzopyran-2-yl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[[3-(4-methylphenyl)-4-oxochromen-2-yl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-keto-2-[[4-keto-3-(p-tolyl)chromen-2-yl]amino]ethyl]piperidin-1-ium-4-carboxamide Formula: C24H26N3O4+ MolecularWeight: 420.48094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(OC3=CC=CC=C3C2=O)NC(=O)C[NH+]4CCC(CC4)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(OC3=CC=CC=C3C2=O)NC(=O)C[NH+]4CCC(CC4)C(=O)N

InChI

InChI=1S/C24H25N3O4/c1-15-6-8-16(9-7-15)21-22(29)18-4-2-3-5-19(18)31-24(21)26-20(28)14-27-12-10-17(11-13-27)23(25)30/h2-9,17H,10-14H2,1H3,(H2,25,30)(H,26,28)/p+1