2-[3-(1-methylpyrrolidin-1-ium-1-yl)propylamino]cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2-[3-(1-methylpyrrolidin-1-ium-1-yl)propylamino]cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-[3-(1-methylpyrrolidin-1-ium-1-yl)propylamino]-1,4-benzoquinone CAS Name: 2-[3-(1-methyl-1-pyrrolidin-1-iumyl)propylamino]cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-[3-(1-methylpyrrolidin-1-ium-1-yl)propylamino]cyclohexa-2,5-diene-1,4-dione Traditional Name: 2-[3-(1-methylpyrrolidin-1-ium-1-yl)propylamino]-p-benzoquinone Formula: C14H21N2O2+ MolecularWeight: 249.32874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1)CCCNC2=CC(=O)C=CC2=O

Isomeric SMILES

C[N+]1(CCCC1)CCCNC2=CC(=O)C=CC2=O

InChI

InChI=1S/C14H20N2O2/c1-16(8-2-3-9-16)10-4-7-15-13-11-12(17)5-6-14(13)18/h5-6,11H,2-4,7-10H2,1H3/p+1