methyl 2-[[4-(2,4-dimethylphenyl)carbonylpiperidin-1-ium-1-yl]methyl]furan-3-carboxylate

Systemtic Name: methyl 2-[[4-(2,4-dimethylphenyl)carbonylpiperidin-1-ium-1-yl]methyl]furan-3-carboxylate Openeye Name: methyl 2-[[4-(2,4-dimethylbenzoyl)piperidin-1-ium-1-yl]methyl]furan-3-carboxylate CAS Name: 2-[[4-[(2,4-dimethylphenyl)-oxomethyl]-1-piperidin-1-iumyl]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(2,4-dimethylbenzoyl)piperidin-1-ium-1-yl]methyl]furan-3-carboxylate Traditional Name: 2-[[4-(2,4-dimethylbenzoyl)piperidin-1-ium-1-yl]methyl]furan-3-carboxylic acid methyl ester Formula: C21H26NO4+ MolecularWeight: 356.43544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C2CC[NH+](CC2)CC3=C(C=CO3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)C2CC[NH+](CC2)CC3=C(C=CO3)C(=O)OC)C

InChI

InChI=1S/C21H25NO4/c1-14-4-5-17(15(2)12-14)20(23)16-6-9-22(10-7-16)13-19-18(8-11-26-19)21(24)25-3/h4-5,8,11-12,16H,6-7,9-10,13H2,1-3H3/p+1