4-methyl-7-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethoxy]-3-(phenylmethyl)chromen-2-one

Systemtic Name: 4-methyl-7-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethoxy]-3-(phenylmethyl)chromen-2-one Openeye Name: 3-benzyl-4-methyl-7-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethoxy]chromen-2-one CAS Name: 4-methyl-7-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethoxy]-3-(phenylmethyl)-1-benzopyran-2-one IUPAC Name: 3-benzyl-4-methyl-7-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethoxy]chromen-2-one Traditional Name: 3-benzyl-7-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethoxy]-4-methyl-coumarin Formula: C24H27N2O4+ MolecularWeight: 407.48218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O4/c1-17-20-9-8-19(29-16-23(27)26-12-10-25(2)11-13-26)15-22(20)30-24(28)21(17)14-18-6-4-3-5-7-18/h3-9,15H,10-14,16H2,1-2H3/p+1