4-methyl-7-(2-methylprop-2-enoxy)-3-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]chromen-2-one

Systemtic Name: 4-methyl-7-(2-methylprop-2-enoxy)-3-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]chromen-2-one Openeye Name: 4-methyl-7-(2-methylallyloxy)-3-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]chromen-2-one CAS Name: 4-methyl-7-(2-methylprop-2-enoxy)-3-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]-1-benzopyran-2-one IUPAC Name: 4-methyl-7-(2-methylprop-2-enoxy)-3-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]chromen-2-one Traditional Name: 3-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]-4-methyl-7-(2-methylallyloxy)coumarin Formula: C25H28N3O4+ MolecularWeight: 434.50752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=C)C)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=C)C)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C25H27N3O4/c1-17(2)16-31-19-7-8-20-18(3)21(25(30)32-22(20)14-19)15-24(29)28-12-10-27(11-13-28)23-6-4-5-9-26-23/h4-9,14H,1,10-13,15-16H2,2-3H3/p+1