ethyl 4-[2-[[9,10-bis(oxidanylidene)anthracen-1-yl]amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-[[9,10-bis(oxidanylidene)anthracen-1-yl]amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-[(9,10-dioxo-1-anthryl)amino]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[(9,10-dioxo-1-anthracenyl)amino]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(9,10-dioxoanthracen-1-yl)amino]-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-[(9,10-diketo-1-anthryl)amino]-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C23H24N3O5+ MolecularWeight: 422.45376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H23N3O5/c1-2-31-23(30)26-12-10-25(11-13-26)14-19(27)24-18-9-5-8-17-20(18)22(29)16-7-4-3-6-15(16)21(17)28/h3-9H,2,10-14H2,1H3,(H,24,27)/p+1