4-methyl-7-[[4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]methoxy]chromen-2-one

Systemtic Name: 4-methyl-7-[[4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]methoxy]chromen-2-one Openeye Name: 4-methyl-7-[[4-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]phenyl]methoxy]chromen-2-one CAS Name: 4-methyl-7-[[4-[oxo-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]methoxy]-1-benzopyran-2-one IUPAC Name: 4-methyl-7-[[4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]methoxy]chromen-2-one Traditional Name: 4-methyl-7-[4-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]benzyl]oxy-coumarin Formula: C28H28N3O4+ MolecularWeight: 470.53962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCC3=CC=C(C=C3)C(=O)N4CC[NH+](CC4)CC5=CC=NC=C5

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OCC3=CC=C(C=C3)C(=O)N4CC[NH+](CC4)CC5=CC=NC=C5

InChI

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