2-methyl-7-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]-3-phenyl-chromen-4-one

Systemtic Name: 2-methyl-7-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]-3-phenyl-chromen-4-one Openeye Name: 2-methyl-7-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]-3-phenyl-chromen-4-one CAS Name: 2-methyl-7-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethoxy]-3-phenyl-1-benzopyran-4-one IUPAC Name: 2-methyl-7-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]-3-phenylchromen-4-one Traditional Name: 7-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethoxy]-2-methyl-3-phenyl-chromone Formula: C27H26N3O4+ MolecularWeight: 456.51304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)C5=CC=CC=C5

InChI

InChI=1S/C27H25N3O4/c1-19-26(20-7-3-2-4-8-20)27(32)22-11-10-21(17-23(22)34-19)33-18-25(31)30-15-13-29(14-16-30)24-9-5-6-12-28-24/h2-12,17H,13-16,18H2,1H3/p+1