1-[1-(4-aminophenyl)pyrrolidin-3-yl]hexadecyl-dimethyl-azanium iodide

Systemtic Name: 1-[1-(4-aminophenyl)pyrrolidin-3-yl]hexadecyl-dimethyl-azanium iodide Openeye Name: 1-[1-(4-aminophenyl)pyrrolidin-3-yl]hexadecyl-dimethyl-ammonium iodide CAS Name: 1-[1-(4-aminophenyl)-3-pyrrolidinyl]hexadecyl-dimethylammonium iodide IUPAC Name: 1-[1-(4-aminophenyl)pyrrolidin-3-yl]hexadecyl-dimethylazanium iodide Traditional Name: 1-[1-(4-aminophenyl)pyrrolidin-3-yl]hexadecyl-dimethyl-ammonium iodide Formula: C28H52IN3 MolecularWeight: 557.63705

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(C1CCN(C1)C2=CC=C(C=C2)N)[NH+](C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(C1CCN(C1)C2=CC=C(C=C2)N)[NH+](C)C.[I-]

InChI

InChI=1S/C28H51N3.HI/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(30(2)3)25-22-23-31(24-25)27-20-18-26(29)19-21-27;/h18-21,25,28H,4-17,22-24,29H2,1-3H3;1H