7-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]-4-propyl-chromen-2-one

Systemtic Name: 7-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]-4-propyl-chromen-2-one Openeye Name: 7-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]-4-propyl-chromen-2-one CAS Name: 7-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethoxy]-4-propyl-1-benzopyran-2-one IUPAC Name: 7-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]-4-propylchromen-2-one Traditional Name: 7-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethoxy]-4-propyl-coumarin Formula: C23H26N3O4+ MolecularWeight: 408.47024

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C23H25N3O4/c1-2-5-17-14-23(28)30-20-15-18(7-8-19(17)20)29-16-22(27)26-12-10-25(11-13-26)21-6-3-4-9-24-21/h3-4,6-9,14-15H,2,5,10-13,16H2,1H3/p+1