2,2-dimethyl-6-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethoxy]-3H-chromen-4-one

Systemtic Name: 2,2-dimethyl-6-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethoxy]-3H-chromen-4-one Openeye Name: 6-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethoxy]-2,2-dimethyl-chroman-4-one CAS Name: 2,2-dimethyl-6-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethoxy]-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: 6-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethoxy]-2,2-dimethyl-3H-chromen-4-one Traditional Name: 6-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethoxy]-2,2-dimethyl-chroman-4-one Formula: C24H29N2O4+ MolecularWeight: 409.49806

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2=C(O1)C=CC(=C2)OCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1(CC(=O)C2=C(O1)C=CC(=C2)OCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C24H28N2O4/c1-24(2)15-21(27)20-14-19(8-9-22(20)30-24)29-17-23(28)26-12-10-25(11-13-26)16-18-6-4-3-5-7-18/h3-9,14H,10-13,15-17H2,1-2H3/p+1