8-methyl-4-[[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 8-methyl-4-[[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-8-methyl-4-[[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7-hydroxy-8-methyl-4-[[4-(2-methyl-1-oxopropyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-8-methyl-4-[[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 7-hydroxy-4-[(4-isobutyrylpiperazin-1-ium-1-yl)methyl]-8-methyl-coumarin Formula: C19H25N2O4+ MolecularWeight: 345.4128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+]3CCN(CC3)C(=O)C(C)C)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+]3CCN(CC3)C(=O)C(C)C)O

InChI

InChI=1S/C19H24N2O4/c1-12(2)19(24)21-8-6-20(7-9-21)11-14-10-17(23)25-18-13(3)16(22)5-4-15(14)18/h4-5,10,12,22H,6-9,11H2,1-3H3/p+1