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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)NC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)NC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O

InChI

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