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

Systemtic Name: 6-ethoxy-4-[[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 6-ethoxy-4-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6-ethoxy-4-[[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethoxy-4-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6-ethoxy-4-[[4-(2-furoyl)piperazin-1-ium-1-yl]methyl]coumarin Formula: C21H23N2O5+ MolecularWeight: 383.41772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

CCOC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C21H22N2O5/c1-2-26-16-5-6-18-17(13-16)15(12-20(24)28-18)14-22-7-9-23(10-8-22)21(25)19-4-3-11-27-19/h3-6,11-13H,2,7-10,14H2,1H3/p+1