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

Systemtic Name: N-[9,10-bis(oxidanylidene)anthracen-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(9,10-dioxo-1-anthryl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(9,10-dioxo-1-anthracenyl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(9,10-dioxoanthracen-1-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(9,10-diketo-1-anthryl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C24H22N5O3+ MolecularWeight: 428.46318

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O)C5=NC=CC=N5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O)C5=NC=CC=N5

InChI

InChI=1S/C24H21N5O3/c30-20(15-28-11-13-29(14-12-28)24-25-9-4-10-26-24)27-19-8-3-7-18-21(19)23(32)17-6-2-1-5-16(17)22(18)31/h1-10H,11-15H2,(H,27,30)/p+1