N-[9,10-bis(oxidanylidene)anthracen-2-yl]-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-[9,10-bis(oxidanylidene)anthracen-2-yl]-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-(9,10-dioxo-2-anthryl)-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-(9,10-dioxo-2-anthracenyl)-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-(9,10-dioxoanthracen-2-yl)-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-(9,10-diketo-2-anthryl)-2-piperidin-1-ium-1-yl-acetamide Formula: C21H21N2O3+ MolecularWeight: 349.40304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)NC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)NC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H20N2O3/c24-19(13-23-10-4-1-5-11-23)22-14-8-9-17-18(12-14)21(26)16-7-3-2-6-15(16)20(17)25/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,22,24)/p+1