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

Systemtic Name: 4-ethyl-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-ethyl-chromen-2-one CAS Name: 4-ethyl-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-ethylchromen-2-one Traditional Name: 7-[(1R)-2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-1-methyl-ethoxy]-4-ethyl-coumarin Formula: C25H29N2O4+ MolecularWeight: 421.50876

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C1C=CC(=C2)OC(C)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC(=O)OC2=C1C=CC(=C2)O[C@H](C)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H28N2O4/c1-3-20-15-24(28)31-23-16-21(9-10-22(20)23)30-18(2)25(29)27-13-11-26(12-14-27)17-19-7-5-4-6-8-19/h4-10,15-16,18H,3,11-14,17H2,1-2H3/p+1/t18-/m1/s1