N-hexadecyl-1-octadecyl-pyridin-1-ium-2-amine

Systemtic Name: N-hexadecyl-1-octadecyl-pyridin-1-ium-2-amine Openeye Name: N-hexadecyl-1-octadecyl-pyridin-1-ium-2-amine CAS Name: N-hexadecyl-1-octadecyl-2-pyridin-1-iumamine IUPAC Name: N-hexadecyl-1-octadecylpyridin-1-ium-2-amine Traditional Name: cetyl-(1-stearylpyridin-1-ium-2-yl)amine Formula: C39H75N2+ MolecularWeight: 572.0262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1=CC=CC=C1NCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1=CC=CC=C1NCCCCCCCCCCCCCCCC

InChI

InChI=1S/C39H74N2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-33-37-41-38-34-31-35-39(41)40-36-32-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h31,34-35,38H,3-30,32-33,36-37H2,1-2H3/p+1