1-(2-methylpropyl)-N-(2,4,6-trimethylphenyl)pyrrolidin-1-ium-2-carboxamide chloride

Systemtic Name: 1-(2-methylpropyl)-N-(2,4,6-trimethylphenyl)pyrrolidin-1-ium-2-carboxamide chloride Openeye Name: 1-isobutyl-N-(2,4,6-trimethylphenyl)pyrrolidin-1-ium-2-carboxamide chloride CAS Name: 1-(2-methylpropyl)-N-(2,4,6-trimethylphenyl)-2-pyrrolidin-1-iumcarboxamide chloride IUPAC Name: 1-(2-methylpropyl)-N-(2,4,6-trimethylphenyl)pyrrolidin-1-ium-2-carboxamide chloride Traditional Name: 1-isobutyl-N-mesityl-pyrrolidin-1-ium-2-carboxamide chloride Formula: C18H29ClN2O MolecularWeight: 324.88866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C2CCC[NH+]2CC(C)C)C.[Cl-]

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C2CCC[NH+]2CC(C)C)C.[Cl-]

InChI

InChI=1S/C18H28N2O.ClH/c1-12(2)11-20-8-6-7-16(20)18(21)19-17-14(4)9-13(3)10-15(17)5;/h9-10,12,16H,6-8,11H2,1-5H3,(H,19,21);1H