4-methyl-7-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethoxy]chromen-2-one

Systemtic Name: 4-methyl-7-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethoxy]chromen-2-one Openeye Name: 4-methyl-7-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethoxy]chromen-2-one CAS Name: 4-methyl-7-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethoxy]-1-benzopyran-2-one IUPAC Name: 4-methyl-7-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethoxy]chromen-2-one Traditional Name: 7-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethoxy]-4-methyl-coumarin Formula: C17H21N2O4+ MolecularWeight: 317.35964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O4/c1-12-9-17(21)23-15-10-13(3-4-14(12)15)22-11-16(20)19-7-5-18(2)6-8-19/h3-4,9-10H,5-8,11H2,1-2H3/p+1