methyl 1-[(3S)-2,5-bis(oxidanylidene)-1-(4-phenyldiazenylphenyl)pyrrolidin-3-yl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[(3S)-2,5-bis(oxidanylidene)-1-(4-phenyldiazenylphenyl)pyrrolidin-3-yl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(3S)-2,5-dioxo-1-(4-phenylazophenyl)pyrrolidin-3-yl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(3S)-2,5-dioxo-1-(4-phenyldiazenylphenyl)-3-pyrrolidinyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(3S)-2,5-dioxo-1-(4-phenyldiazenylphenyl)pyrrolidin-3-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(3S)-2,5-diketo-1-(4-phenylazophenyl)pyrrolidin-3-yl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C23H25N4O4+ MolecularWeight: 421.469

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)N=NC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)[C@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)N=NC4=CC=CC=C4

InChI

InChI=1S/C23H24N4O4/c1-31-23(30)16-11-13-26(14-12-16)20-15-21(28)27(22(20)29)19-9-7-18(8-10-19)25-24-17-5-3-2-4-6-17/h2-10,16,20H,11-15H2,1H3/p+1/t20-/m0/s1