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

Systemtic Name: 7-methoxy-4-methyl-3-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]chromen-2-one Openeye Name: 7-methoxy-4-methyl-3-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]chromen-2-one CAS Name: 7-methoxy-4-methyl-3-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]-1-benzopyran-2-one IUPAC Name: 7-methoxy-4-methyl-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]-7-methoxy-4-methyl-coumarin Formula: C22H24N3O4+ MolecularWeight: 394.44366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O4/c1-15-17-7-6-16(28-2)13-19(17)29-22(27)18(15)14-21(26)25-11-9-24(10-12-25)20-5-3-4-8-23-20/h3-8,13H,9-12,14H2,1-2H3/p+1