1-butyl-1-[12-(1-butylpyrrolidin-1-ium-1-yl)dodecyl]pyrrolidin-1-ium dichloride

Systemtic Name: 1-butyl-1-[12-(1-butylpyrrolidin-1-ium-1-yl)dodecyl]pyrrolidin-1-ium dichloride Openeye Name: 1-butyl-1-[12-(1-butylpyrrolidin-1-ium-1-yl)dodecyl]pyrrolidin-1-ium dichloride CAS Name: 1-butyl-1-[12-(1-butyl-1-pyrrolidin-1-iumyl)dodecyl]pyrrolidin-1-ium dichloride IUPAC Name: 1-butyl-1-[12-(1-butylpyrrolidin-1-ium-1-yl)dodecyl]pyrrolidin-1-ium dichloride Traditional Name: 1-butyl-1-[12-(1-butylpyrrolidin-1-ium-1-yl)dodecyl]pyrrolidin-1-ium dichloride Formula: C28H58Cl2N2 MolecularWeight: 493.67952

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CCCC1)CCCCCCCCCCCC[N+]2(CCCC2)CCCC.[Cl-].[Cl-]

Isomeric SMILES

CCCC[N+]1(CCCC1)CCCCCCCCCCCC[N+]2(CCCC2)CCCC.[Cl-].[Cl-]

InChI

InChI=1S/C28H58N2.2ClH/c1-3-5-21-29(25-17-18-26-29)23-15-13-11-9-7-8-10-12-14-16-24-30(22-6-4-2)27-19-20-28-30;;/h3-28H2,1-2H3;2*1H/q+2;;/p-2