1-octadecyl-1-(1H-pyrrol-1-ium-1-ylmethyl)pyrrolidin-1-ium-2-one chloride

Systemtic Name: 1-octadecyl-1-(1H-pyrrol-1-ium-1-ylmethyl)pyrrolidin-1-ium-2-one chloride Openeye Name: 1-octadecyl-1-(1H-pyrrol-1-ium-1-ylmethyl)pyrrolidin-1-ium-2-one chloride CAS Name: 1-octadecyl-1-(1H-pyrrol-1-ium-1-ylmethyl)-2-pyrrolidin-1-iumone chloride IUPAC Name: 1-octadecyl-1-(1H-pyrrol-1-ium-1-ylmethyl)pyrrolidin-1-ium-2-one chloride Traditional Name: 1-(1H-pyrrol-1-ium-1-ylmethyl)-1-stearyl-pyrrolidin-1-ium-2-one chloride Formula: C27H50ClN2O+ MolecularWeight: 454.1517

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1(CCCC1=O)C[NH+]2C=CC=C2.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1(CCCC1=O)C[NH+]2C=CC=C2.[Cl-]

InChI

InChI=1S/C27H49N2O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-29(25-20-21-27(29)30)26-28-22-17-18-23-28;/h17-18,22-23H,2-16,19-21,24-26H2,1H3;1H/q+1;