bis[3-(2,5-dimethylpyrrolidin-1-yl)propyl]-hexadecyl-methyl-azanium

Systemtic Name: bis[3-(2,5-dimethylpyrrolidin-1-yl)propyl]-hexadecyl-methyl-azanium Openeye Name: bis[3-(2,5-dimethylpyrrolidin-1-yl)propyl]-hexadecyl-methyl-ammonium CAS Name: bis[3-(2,5-dimethyl-1-pyrrolidinyl)propyl]-hexadecyl-methylammonium IUPAC Name: bis[3-(2,5-dimethylpyrrolidin-1-yl)propyl]-hexadecyl-methylazanium Traditional Name: cetyl-bis[3-(2,5-dimethylpyrrolidino)propyl]-methyl-ammonium Formula: C35H72N3+ MolecularWeight: 534.96628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(CCCN1C(CCC1C)C)CCCN2C(CCC2C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(CCCN1C(CCC1C)C)CCCN2C(CCC2C)C

InChI

InChI=1S/C35H72N3/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29-38(6,30-21-27-36-32(2)23-24-33(36)3)31-22-28-37-34(4)25-26-35(37)5/h32-35H,7-31H2,1-6H3/q+1