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

Systemtic Name: N-[9,10-bis(oxidanylidene)anthracen-1-yl]-3-piperidin-1-ium-1-yl-propanamide Openeye Name: N-(9,10-dioxo-1-anthryl)-3-piperidin-1-ium-1-yl-propanamide CAS Name: N-(9,10-dioxo-1-anthracenyl)-3-(1-piperidin-1-iumyl)propanamide IUPAC Name: N-(9,10-dioxoanthracen-1-yl)-3-piperidin-1-ium-1-ylpropanamide Traditional Name: N-(9,10-diketo-1-anthryl)-3-piperidin-1-ium-1-yl-propionamide Formula: C22H23N2O3+ MolecularWeight: 363.42962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O3/c25-19(11-14-24-12-4-1-5-13-24)23-18-10-6-9-17-20(18)22(27)16-8-3-2-7-15(16)21(17)26/h2-3,6-10H,1,4-5,11-14H2,(H,23,25)/p+1