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

Systemtic Name: 6-chloranyl-7-methoxy-4-methyl-3-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]chromen-2-one Openeye Name: 6-chloro-7-methoxy-4-methyl-3-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]chromen-2-one CAS Name: 6-chloro-7-methoxy-4-methyl-3-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methoxy-4-methyl-3-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]chromen-2-one Traditional Name: 6-chloro-3-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]-7-methoxy-4-methyl-coumarin Formula: C22H23ClN3O4+ MolecularWeight: 428.88872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN3O4/c1-14-15-11-17(23)19(29-2)13-18(15)30-22(28)16(14)12-21(27)26-9-7-25(8-10-26)20-5-3-4-6-24-20/h3-6,11,13H,7-10,12H2,1-2H3/p+1