3-(4-tert-butylphenyl)-1,4-dimethyl-1-(3,5,5-trimethylhexyl)pyrrolidin-1-ium iodide

Systemtic Name: 3-(4-tert-butylphenyl)-1,4-dimethyl-1-(3,5,5-trimethylhexyl)pyrrolidin-1-ium iodide Openeye Name: 3-(4-tert-butylphenyl)-1,4-dimethyl-1-(3,5,5-trimethylhexyl)pyrrolidin-1-ium iodide CAS Name: 3-(4-tert-butylphenyl)-1,4-dimethyl-1-(3,5,5-trimethylhexyl)pyrrolidin-1-ium iodide IUPAC Name: 3-(4-tert-butylphenyl)-1,4-dimethyl-1-(3,5,5-trimethylhexyl)pyrrolidin-1-ium iodide Traditional Name: 3-(4-tert-butylphenyl)-1,4-dimethyl-1-(3,5,5-trimethylhexyl)pyrrolidin-1-ium iodide Formula: C25H44IN MolecularWeight: 485.52803

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[N+](CC1C2=CC=C(C=C2)C(C)(C)C)(C)CCC(C)CC(C)(C)C.[I-]

Isomeric SMILES

CC1C[N+](CC1C2=CC=C(C=C2)C(C)(C)C)(C)CCC(C)CC(C)(C)C.[I-]

InChI

InChI=1S/C25H44N.HI/c1-19(16-24(3,4)5)14-15-26(9)17-20(2)23(18-26)21-10-12-22(13-11-21)25(6,7)8;/h10-13,19-20,23H,14-18H2,1-9H3;1H/q+1;/p-1