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

Systemtic Name: methyl 1-[2-[[9,10-bis(oxidanylidene)anthracen-1-yl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-[(9,10-dioxo-1-anthryl)amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[(9,10-dioxo-1-anthracenyl)amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(9,10-dioxoanthracen-1-yl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[(9,10-diketo-1-anthryl)amino]-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C23H23N2O5+ MolecularWeight: 407.43912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O5/c1-30-23(29)14-9-11-25(12-10-14)13-19(26)24-18-8-4-7-17-20(18)22(28)16-6-3-2-5-15(16)21(17)27/h2-8,14H,9-13H2,1H3,(H,24,26)/p+1