N,N-dibutyl-1-octadecyl-3,4-dihydro-2H-pyrrol-1-ium-5-amine

Systemtic Name: N,N-dibutyl-1-octadecyl-3,4-dihydro-2H-pyrrol-1-ium-5-amine Openeye Name: N,N-dibutyl-1-octadecyl-3,4-dihydro-2H-pyrrol-1-ium-5-amine CAS Name: N,N-dibutyl-1-octadecyl-3,4-dihydro-2H-pyrrol-1-ium-5-amine IUPAC Name: N,N-dibutyl-1-octadecyl-3,4-dihydro-2H-pyrrol-1-ium-5-amine Traditional Name: dibutyl-(1-stearyl-1-pyrrolin-1-ium-2-yl)amine Formula: C30H61N2+ MolecularWeight: 449.81874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1=C(CCC1)N(CCCC)CCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1=C(CCC1)N(CCCC)CCCC

InChI

InChI=1S/C30H61N2/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28-32-29-24-25-30(32)31(26-8-5-2)27-9-6-3/h4-29H2,1-3H3/q+1