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

Systemtic Name: 4-methyl-3-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxidanylidene-propyl]-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-4-methyl-3-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxo-propyl]chromen-2-one CAS Name: 7-hydroxy-4-methyl-3-[3-(4-methyl-1-piperazin-4-iumyl)-3-oxopropyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-methyl-3-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxopropyl]chromen-2-one Traditional Name: 7-hydroxy-3-[3-keto-3-(4-methylpiperazin-4-ium-1-yl)propyl]-4-methyl-coumarin Formula: C18H23N2O4+ MolecularWeight: 331.38622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O4/c1-12-14-4-3-13(21)11-16(14)24-18(23)15(12)5-6-17(22)20-9-7-19(2)8-10-20/h3-4,11,21H,5-10H2,1-2H3/p+1