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

Systemtic Name: (3S,4S)-1,1-dihexadecylpyrrolidin-1-ium-3,4-diamine Openeye Name: (3S,4S)-1,1-dihexadecylpyrrolidin-1-ium-3,4-diamine CAS Name: (3S,4S)-1,1-dihexadecylpyrrolidin-1-ium-3,4-diamine IUPAC Name: (3S,4S)-1,1-dihexadecylpyrrolidin-1-ium-3,4-diamine Traditional Name: [(3S,4S)-4-amino-1,1-dicetyl-pyrrolidin-1-ium-3-yl]amine Formula: C36H76N3+ MolecularWeight: 551.00874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1(CC(C(C1)N)N)CCCCCCCCCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C36H76N3/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/q+1/t35-,36-/m0/s1