3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]carbonylchromen-2-one

Systemtic Name: 3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]carbonylchromen-2-one Openeye Name: 3-[4-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-carbonyl]chromen-2-one CAS Name: 3-[[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazin-4-iumyl]-oxomethyl]-1-benzopyran-2-one IUPAC Name: 3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-carbonyl]chromen-2-one Traditional Name: 3-[4-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-carbonyl]coumarin Formula: C24H23N4O4+ MolecularWeight: 431.46382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=N2)C[NH+]3CCN(CC3)C(=O)C4=CC5=CC=CC=C5OC4=O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=N2)C[NH+]3CCN(CC3)C(=O)C4=CC5=CC=CC=C5OC4=O

InChI

InChI=1S/C24H22N4O4/c1-16-6-8-17(9-7-16)22-25-21(32-26-22)15-27-10-12-28(13-11-27)23(29)19-14-18-4-2-3-5-20(18)31-24(19)30/h2-9,14H,10-13,15H2,1H3/p+1