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

Systemtic Name: 2,2-dimethyl-6-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethoxy]-3H-chromen-4-one Openeye Name: 2,2-dimethyl-6-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethoxy]chroman-4-one CAS Name: 2,2-dimethyl-6-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethoxy]-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: 2,2-dimethyl-6-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethoxy]-3H-chromen-4-one Traditional Name: 6-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethoxy]-2,2-dimethyl-chroman-4-one Formula: C18H25N2O4+ MolecularWeight: 333.4021

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O4/c1-18(2)11-15(21)14-10-13(4-5-16(14)24-18)23-12-17(22)20-8-6-19(3)7-9-20/h4-5,10H,6-9,11-12H2,1-3H3/p+1