7-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]spiro[3H-chromene-2,1'-cyclohexane]-4-one

Systemtic Name: 7-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]spiro[3H-chromene-2,1'-cyclohexane]-4-one Openeye Name: 7-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]spiro[chromane-2,1'-cyclohexane]-4-one CAS Name: 7-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethoxy]-4-spiro[3,4-dihydro-2H-1-benzopyran-2,1'-cyclohexane]one IUPAC Name: 7-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethoxy]spiro[3H-chromene-2,1'-cyclohexane]-4-one Traditional Name: 7-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethoxy]spiro[chroman-2,1'-cyclohexane]-4-one Formula: C25H30N3O4+ MolecularWeight: 436.5234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)CC(=O)C3=C(O2)C=C(C=C3)OCC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

C1CCC2(CC1)CC(=O)C3=C(O2)C=C(C=C3)OCC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C25H29N3O4/c29-21-17-25(9-3-1-4-10-25)32-22-16-19(7-8-20(21)22)31-18-24(30)28-14-12-27(13-15-28)23-6-2-5-11-26-23/h2,5-8,11,16H,1,3-4,9-10,12-15,17-18H2/p+1