1-(2,3-dihydro-1H-indol-1-ium-1-ylmethyl)-1-dodecyl-pyrrolidin-1-ium-2-one chloride

Systemtic Name: 1-(2,3-dihydro-1H-indol-1-ium-1-ylmethyl)-1-dodecyl-pyrrolidin-1-ium-2-one chloride Openeye Name: 1-dodecyl-1-(indolin-1-ium-1-ylmethyl)pyrrolidin-1-ium-2-one chloride CAS Name: 1-(2,3-dihydro-1H-indol-1-ium-1-ylmethyl)-1-dodecyl-2-pyrrolidin-1-iumone chloride IUPAC Name: 1-(2,3-dihydro-1H-indol-1-ium-1-ylmethyl)-1-dodecylpyrrolidin-1-ium-2-one chloride Traditional Name: 1-(indolin-1-ium-1-ylmethyl)-1-lauryl-pyrrolidin-1-ium-2-one chloride Formula: C25H42ClN2O+ MolecularWeight: 422.06678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1(CCCC1=O)C[NH+]2CCC3=CC=CC=C32.[Cl-]

Isomeric SMILES

CCCCCCCCCCCC[N+]1(CCCC1=O)C[NH+]2CCC3=CC=CC=C32.[Cl-]

InChI

InChI=1S/C25H41N2O.ClH/c1-2-3-4-5-6-7-8-9-10-13-20-27(21-14-17-25(27)28)22-26-19-18-23-15-11-12-16-24(23)26;/h11-12,15-16H,2-10,13-14,17-22H2,1H3;1H/q+1;