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

Systemtic Name: 4-[[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]methyl]-7-methyl-6-propan-2-yl-chromen-2-one Openeye Name: 4-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-6-isopropyl-7-methyl-chromen-2-one CAS Name: 4-[[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]methyl]-7-methyl-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 4-[[4-(2-furoyl)piperazin-1-ium-1-yl]methyl]-6-isopropyl-7-methyl-coumarin Formula: C23H27N2O4+ MolecularWeight: 395.47148

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O4/c1-15(2)18-13-19-17(12-22(26)29-21(19)11-16(18)3)14-24-6-8-25(9-7-24)23(27)20-5-4-10-28-20/h4-5,10-13,15H,6-9,14H2,1-3H3/p+1