1-(3-iodanylprop-2-ynyl)-1-(2-methylheptadecan-2-yl)pyrrolidin-1-ium

Systemtic Name: 1-(3-iodanylprop-2-ynyl)-1-(2-methylheptadecan-2-yl)pyrrolidin-1-ium Openeye Name: 1-(1,1-dimethylhexadecyl)-1-(3-iodoprop-2-ynyl)pyrrolidin-1-ium CAS Name: 1-(3-iodoprop-2-ynyl)-1-(2-methylheptadecan-2-yl)pyrrolidin-1-ium IUPAC Name: 1-(3-iodoprop-2-ynyl)-1-(2-methylheptadecan-2-yl)pyrrolidin-1-ium Traditional Name: 1-(1,1-dimethylhexadecyl)-1-(3-iodoprop-2-ynyl)pyrrolidin-1-ium Formula: C25H47IN+ MolecularWeight: 488.55185

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(C)(C)[N+]1(CCCC1)CC#CI

Isomeric SMILES

CCCCCCCCCCCCCCCC(C)(C)[N+]1(CCCC1)CC#CI

InChI

InChI=1S/C25H47IN/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25(2,3)27(24-19-21-26)22-17-18-23-27/h4-18,20,22-24H2,1-3H3/q+1