2,2-dimethyl-7-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]-3H-chromen-4-one

Systemtic Name: 2,2-dimethyl-7-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]-3H-chromen-4-one Openeye Name: 2,2-dimethyl-7-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]chroman-4-one CAS Name: 2,2-dimethyl-7-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethoxy]-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: 2,2-dimethyl-7-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]-3H-chromen-4-one Traditional Name: 7-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethoxy]-2,2-dimethyl-chroman-4-one Formula: C22H26N3O4+ MolecularWeight: 396.45954

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2=C(O1)C=C(C=C2)OCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)C

Isomeric SMILES

CC1(CC(=O)C2=C(O1)C=C(C=C2)OCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)C

InChI

InChI=1S/C22H25N3O4/c1-22(2)14-18(26)17-7-6-16(13-19(17)29-22)28-15-21(27)25-11-9-24(10-12-25)20-5-3-4-8-23-20/h3-8,13H,9-12,14-15H2,1-2H3/p+1