7-ethyl-4-[[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 7-ethyl-4-[[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 7-ethyl-4-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7-ethyl-4-[[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-ethyl-4-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 7-ethyl-4-[[4-(2-furoyl)piperazin-1-ium-1-yl]methyl]coumarin Formula: C21H23N2O4+ MolecularWeight: 367.41832

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C21H22N2O4/c1-2-15-5-6-17-16(13-20(24)27-19(17)12-15)14-22-7-9-23(10-8-22)21(25)18-4-3-11-26-18/h3-6,11-13H,2,7-10,14H2,1H3/p+1