4-methyl-7-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethoxy]chromen-2-one

Systemtic Name: 4-methyl-7-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethoxy]chromen-2-one Openeye Name: 7-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethoxy]-4-methyl-chromen-2-one CAS Name: 4-methyl-7-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethoxy]-1-benzopyran-2-one IUPAC Name: 7-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethoxy]-4-methylchromen-2-one Traditional Name: 7-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethoxy]-4-methyl-coumarin Formula: C23H25N2O4+ MolecularWeight: 393.4556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H24N2O4/c1-17-13-23(27)29-21-14-19(7-8-20(17)21)28-16-22(26)25-11-9-24(10-12-25)15-18-5-3-2-4-6-18/h2-8,13-14H,9-12,15-16H2,1H3/p+1