7-methoxy-6-[3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]-4-phenyl-chromen-2-one

Systemtic Name: 7-methoxy-6-[3-oxidanylidene-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]-4-phenyl-chromen-2-one Openeye Name: 7-methoxy-6-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]-4-phenyl-chromen-2-one CAS Name: 7-methoxy-6-[3-oxo-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]propyl]-4-phenyl-1-benzopyran-2-one IUPAC Name: 7-methoxy-6-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]-4-phenylchromen-2-one Traditional Name: 6-[3-keto-3-(4-pyridin-1-ium-2-ylpiperazino)propyl]-7-methoxy-4-phenyl-coumarin Formula: C28H28N3O4+ MolecularWeight: 470.53962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=CC(=O)OC2=C1)C3=CC=CC=C3)CCC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

COC1=C(C=C2C(=CC(=O)OC2=C1)C3=CC=CC=C3)CCC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C28H27N3O4/c1-34-24-19-25-23(22(18-28(33)35-25)20-7-3-2-4-8-20)17-21(24)10-11-27(32)31-15-13-30(14-16-31)26-9-5-6-12-29-26/h2-9,12,17-19H,10-11,13-16H2,1H3/p+1