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

Systemtic Name: 4-methyl-7-[(2R)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-yl]oxy-chromen-2-one Openeye Name: 7-[(1R)-2-(4-benzylpiperazin-4-ium-1-yl)-1-methyl-2-oxo-ethoxy]-4-methyl-chromen-2-one CAS Name: 4-methyl-7-[(2R)-1-oxo-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]propan-2-yl]oxy-1-benzopyran-2-one IUPAC Name: 7-[(2R)-1-(4-benzylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one Traditional Name: 7-[(1R)-2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-1-methyl-ethoxy]-4-methyl-coumarin Formula: C24H27N2O4+ MolecularWeight: 407.48218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O4/c1-17-14-23(27)30-22-15-20(8-9-21(17)22)29-18(2)24(28)26-12-10-25(11-13-26)16-19-6-4-3-5-7-19/h3-9,14-15,18H,10-13,16H2,1-2H3/p+1/t18-/m1/s1