methyl 4-[(E)-[2-(3,4-dimethoxyphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-oxidanyl-methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 4-[(E)-[2-(3,4-dimethoxyphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-oxidanyl-methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: methyl 4-[(E)-[2-(3,4-dimethoxyphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-dioxo-pyrrolidin-3-ylidene]-hydroxy-methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[(E)-[2-(3,4-dimethoxyphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-dioxo-3-pyrrolidinylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-[(E)-[2-(3,4-dimethoxyphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[(E)-[2-(3,4-dimethoxyphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-diketo-pyrrolidin-3-ylidene]-hydroxy-methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid methyl ester Formula: C27H31N4O7+ MolecularWeight: 523.55764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CCC[N+]3=CNC=C3)C4=CC(=C(C=C4)OC)OC)O)C)C(=O)OC

Isomeric SMILES

CC1=C(NC(=C1/C(=C\2/C(N(C(=O)C2=O)CCC[N+]3=CNC=C3)C4=CC(=C(C=C4)OC)OC)/O)C)C(=O)OC

InChI

InChI=1S/C27H30N4O7/c1-15-20(16(2)29-22(15)27(35)38-5)24(32)21-23(17-7-8-18(36-3)19(13-17)37-4)31(26(34)25(21)33)11-6-10-30-12-9-28-14-30/h7-9,12-14,23H,6,10-11H2,1-5H3,(H2,29,32,33,35)/p+1