4,8-dimethyl-7-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethoxy]chromen-2-one

Systemtic Name: 4,8-dimethyl-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]-4,8-dimethyl-chromen-2-one CAS Name: 4,8-dimethyl-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]-4,8-dimethylchromen-2-one Traditional Name: 7-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethoxy]-4,8-dimethyl-coumarin Formula: C24H27N2O4+ MolecularWeight: 407.48218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

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