2-[4-[9,10-bis(oxidanylidene)anthracen-1-yl]piperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-[9,10-bis(oxidanylidene)anthracen-1-yl]piperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[4-(9,10-dioxo-1-anthryl)piperazin-1-ium-1-yl]-N-isopropyl-acetamide CAS Name: 2-[4-(9,10-dioxo-1-anthracenyl)-1-piperazin-1-iumyl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-(9,10-dioxoanthracen-1-yl)piperazin-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: 2-[4-(9,10-diketo-1-anthryl)piperazin-1-ium-1-yl]-N-isopropyl-acetamide Formula: C23H26N3O3+ MolecularWeight: 392.47084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C[NH+]1CCN(CC1)C2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(C)NC(=O)C[NH+]1CCN(CC1)C2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H25N3O3/c1-15(2)24-20(27)14-25-10-12-26(13-11-25)19-9-5-8-18-21(19)23(29)17-7-4-3-6-16(17)22(18)28/h3-9,15H,10-14H2,1-2H3,(H,24,27)/p+1