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

Systemtic Name: N-[3-chloranyl-9,10-bis(oxidanylidene)anthracen-1-yl]-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-(3-chloro-9,10-dioxo-1-anthryl)-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-(3-chloro-9,10-dioxo-1-anthracenyl)-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-(3-chloro-9,10-dioxoanthracen-1-yl)-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-(3-chloro-9,10-diketo-1-anthryl)-2-piperidin-1-ium-1-yl-acetamide Formula: C21H20ClN2O3+ MolecularWeight: 383.8481

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)NC2=C3C(=CC(=C2)Cl)C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)NC2=C3C(=CC(=C2)Cl)C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H19ClN2O3/c22-13-10-16-19(21(27)15-7-3-2-6-14(15)20(16)26)17(11-13)23-18(25)12-24-8-4-1-5-9-24/h2-3,6-7,10-11H,1,4-5,8-9,12H2,(H,23,25)/p+1