6,7-dimethoxy-4-methyl-3-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]chromen-2-one

Systemtic Name: 6,7-dimethoxy-4-methyl-3-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]chromen-2-one Openeye Name: 6,7-dimethoxy-4-methyl-3-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]chromen-2-one CAS Name: 6,7-dimethoxy-4-methyl-3-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethoxy-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]-6,7-dimethoxy-4-methyl-coumarin Formula: C23H26N3O5+ MolecularWeight: 424.46964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)OC)OC)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)OC)OC)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C23H25N3O5/c1-15-16-12-19(29-2)20(30-3)14-18(16)31-23(28)17(15)13-22(27)26-10-8-25(9-11-26)21-6-4-5-7-24-21/h4-7,12,14H,8-11,13H2,1-3H3/p+1