[(3R,4S)-1-hexadecyl-1,4-dimethyl-pyrrolidin-1-ium-3-yl]methanesulfonate

Systemtic Name: [(3R,4S)-1-hexadecyl-1,4-dimethyl-pyrrolidin-1-ium-3-yl]methanesulfonate Openeye Name: [(3R,4S)-1-hexadecyl-1,4-dimethyl-pyrrolidin-1-ium-3-yl]methanesulfonate CAS Name: [(3R,4S)-1-hexadecyl-1,4-dimethyl-3-pyrrolidin-1-iumyl]methanesulfonate IUPAC Name: [(3R,4S)-1-hexadecyl-1,4-dimethylpyrrolidin-1-ium-3-yl]methanesulfonate Traditional Name: [(3R,4S)-1-cetyl-1,4-dimethyl-pyrrolidin-1-ium-3-yl]methanesulfonate Formula: C23H47NO3S MolecularWeight: 417.68918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1(CC(C(C1)CS(=O)(=O)[O-])C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1(C[C@H]([C@H](C1)CS(=O)(=O)[O-])C)C

InChI

InChI=1S/C23H47NO3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(3)19-22(2)23(20-24)21-28(25,26)27/h22-23H,4-21H2,1-3H3/t22-,23-,24?/m1/s1