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

Systemtic Name: 6-ethyl-4-methyl-8-[[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-4-methyl-8-[[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-methyl-8-[[4-(2-methyl-1-oxopropyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-methyl-8-[[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6-ethyl-7-hydroxy-8-[(4-isobutyrylpiperazin-1-ium-1-yl)methyl]-4-methyl-coumarin Formula: C21H29N2O4+ MolecularWeight: 373.46596

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C)C[NH+]3CCN(CC3)C(=O)C(C)C)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C)C[NH+]3CCN(CC3)C(=O)C(C)C)O

InChI

InChI=1S/C21H28N2O4/c1-5-15-11-16-14(4)10-18(24)27-20(16)17(19(15)25)12-22-6-8-23(9-7-22)21(26)13(2)3/h10-11,13,25H,5-9,12H2,1-4H3/p+1