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

Systemtic Name: (2R)-N-[9,10-bis(oxidanylidene)anthracen-2-yl]-2-piperidin-1-ium-1-yl-propanamide Openeye Name: (2R)-N-(9,10-dioxo-2-anthryl)-2-piperidin-1-ium-1-yl-propanamide CAS Name: (2R)-N-(9,10-dioxo-2-anthracenyl)-2-(1-piperidin-1-iumyl)propanamide IUPAC Name: (2R)-N-(9,10-dioxoanthracen-2-yl)-2-piperidin-1-ium-1-ylpropanamide Traditional Name: (2R)-N-(9,10-diketo-2-anthryl)-2-piperidin-1-ium-1-yl-propionamide Formula: C22H23N2O3+ MolecularWeight: 363.42962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)[NH+]4CCCCC4

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)[NH+]4CCCCC4

InChI

InChI=1S/C22H22N2O3/c1-14(24-11-5-2-6-12-24)22(27)23-15-9-10-18-19(13-15)21(26)17-8-4-3-7-16(17)20(18)25/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3,(H,23,27)/p+1/t14-/m1/s1