3-[3-(3-methoxyphenyl)carbonyl-2-(5-methylfuran-2-yl)-4,5-bis(oxidanylidene)pyrrolidin-1-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[3-(3-methoxyphenyl)carbonyl-2-(5-methylfuran-2-yl)-4,5-bis(oxidanylidene)pyrrolidin-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[3-(3-methoxybenzoyl)-2-(5-methyl-2-furyl)-4,5-dioxo-pyrrolidin-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[3-[(3-methoxyphenyl)-oxomethyl]-2-(5-methyl-2-furanyl)-4,5-dioxo-1-pyrrolidinyl]propyl-dimethylammonium IUPAC Name: 3-[3-(3-methoxybenzoyl)-2-(5-methylfuran-2-yl)-4,5-dioxopyrrolidin-1-yl]propyl-dimethylazanium Traditional Name: 3-[2,3-diketo-4-m-anisoyl-5-(5-methyl-2-furyl)pyrrolidino]propyl-dimethyl-ammonium Formula: C22H27N2O5+ MolecularWeight: 399.46018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2C(C(=O)C(=O)N2CCC[NH+](C)C)C(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

CC1=CC=C(O1)C2C(C(=O)C(=O)N2CCC[NH+](C)C)C(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C22H26N2O5/c1-14-9-10-17(29-14)19-18(20(25)15-7-5-8-16(13-15)28-4)21(26)22(27)24(19)12-6-11-23(2)3/h5,7-10,13,18-19H,6,11-12H2,1-4H3/p+1