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

Systemtic Name: 6-chloranyl-4-[[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one Openeye Name: 6-chloro-4-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one CAS Name: 6-chloro-4-[[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-7-methylchromen-2-one Traditional Name: 6-chloro-4-[[4-(2-furoyl)piperazin-1-ium-1-yl]methyl]-7-methyl-coumarin Formula: C20H20ClN2O4+ MolecularWeight: 387.8368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4)Cl

InChI

InChI=1S/C20H19ClN2O4/c1-13-9-18-15(11-16(13)21)14(10-19(24)27-18)12-22-4-6-23(7-5-22)20(25)17-3-2-8-26-17/h2-3,8-11H,4-7,12H2,1H3/p+1