N-[3-chloranyl-9,10-bis(oxidanylidene)anthracen-2-yl]-2-(4-methylpiperidin-1-ium-1-yl)ethanamide

Systemtic Name: N-[3-chloranyl-9,10-bis(oxidanylidene)anthracen-2-yl]-2-(4-methylpiperidin-1-ium-1-yl)ethanamide Openeye Name: N-(3-chloro-9,10-dioxo-2-anthryl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide CAS Name: N-(3-chloro-9,10-dioxo-2-anthracenyl)-2-(4-methyl-1-piperidin-1-iumyl)acetamide IUPAC Name: N-(3-chloro-9,10-dioxoanthracen-2-yl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide Traditional Name: N-(3-chloro-9,10-diketo-2-anthryl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide Formula: C22H22ClN2O3+ MolecularWeight: 397.87468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(=O)NC2=C(C=C3C(=C2)C(=O)C4=CC=CC=C4C3=O)Cl

Isomeric SMILES

CC1CC[NH+](CC1)CC(=O)NC2=C(C=C3C(=C2)C(=O)C4=CC=CC=C4C3=O)Cl

InChI

InChI=1S/C22H21ClN2O3/c1-13-6-8-25(9-7-13)12-20(26)24-19-11-17-16(10-18(19)23)21(27)14-4-2-3-5-15(14)22(17)28/h2-5,10-11,13H,6-9,12H2,1H3,(H,24,26)/p+1