4-[(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)methyl]-7-oxidanyl-chromen-2-one Openeye Name: 4-[[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]methyl]-7-hydroxy-chromen-2-one CAS Name: 4-[[4-[cyclopropyl(oxo)methyl]-1-piperazin-1-iumyl]methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]methyl]-7-hydroxychromen-2-one Traditional Name: 4-[[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]methyl]-7-hydroxy-coumarin Formula: C18H21N2O4+ MolecularWeight: 329.37034

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CC[NH+](CC2)CC3=CC(=O)OC4=C3C=CC(=C4)O

Isomeric SMILES

C1CC1C(=O)N2CC[NH+](CC2)CC3=CC(=O)OC4=C3C=CC(=C4)O

InChI

InChI=1S/C18H20N2O4/c21-14-3-4-15-13(9-17(22)24-16(15)10-14)11-19-5-7-20(8-6-19)18(23)12-1-2-12/h3-4,9-10,12,21H,1-2,5-8,11H2/p+1