4-methyl-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 4-methyl-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-4-methyl-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]chromen-2-one CAS Name: 7-hydroxy-4-methyl-3-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-methyl-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]chromen-2-one Traditional Name: 7-hydroxy-3-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-4-methyl-coumarin Formula: C17H21N2O4+ MolecularWeight: 317.35964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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