(3S,4S)-1,1-dihexadecylpyrrolidin-1-ium-3,4-diamine chloride dihydrochloride

Systemtic Name: (3S,4S)-1,1-dihexadecylpyrrolidin-1-ium-3,4-diamine chloride dihydrochloride Openeye Name: (3S,4S)-1,1-dihexadecylpyrrolidin-1-ium-3,4-diamine chloride dihydrochloride CAS Name: (3S,4S)-1,1-dihexadecylpyrrolidin-1-ium-3,4-diamine chloride dihydrochloride IUPAC Name: (3S,4S)-1,1-dihexadecylpyrrolidin-1-ium-3,4-diamine chloride dihydrochloride Traditional Name: [(3S,4S)-4-amino-1,1-dicetyl-pyrrolidin-1-ium-3-yl]amine chloride dihydrochloride Formula: C36H78Cl3N3 MolecularWeight: 659.38362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1(CC(C(C1)N)N)CCCCCCCCCCCCCCCC.Cl.Cl.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1(C[C@@H]([C@H](C1)N)N)CCCCCCCCCCCCCCCC.Cl.Cl.[Cl-]

InChI

InChI=1S/C36H76N3.3ClH/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-39(33-35(37)36(38)34-39)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;;;/h35-36H,3-34,37-38H2,1-2H3;3*1H/q+1;;;/p-1/t35-,36-;;;/m0.../s1