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

Systemtic Name: 1-hexadecyl-1-(1H-pyrrol-1-ium-1-ylmethyl)pyrrolidin-1-ium-2-one chloride Openeye Name: 1-hexadecyl-1-(1H-pyrrol-1-ium-1-ylmethyl)pyrrolidin-1-ium-2-one chloride CAS Name: 1-hexadecyl-1-(1H-pyrrol-1-ium-1-ylmethyl)-2-pyrrolidin-1-iumone chloride IUPAC Name: 1-hexadecyl-1-(1H-pyrrol-1-ium-1-ylmethyl)pyrrolidin-1-ium-2-one chloride Traditional Name: 1-cetyl-1-(1H-pyrrol-1-ium-1-ylmethyl)pyrrolidin-1-ium-2-one chloride Formula: C25H46ClN2O+ MolecularWeight: 426.09854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H45N2O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22-27(23-18-19-25(27)28)24-26-20-15-16-21-26;/h15-16,20-21H,2-14,17-19,22-24H2,1H3;1H/q+1;