4-(1-docosyl-2-ethenyl-pyridin-1-ium-3-yl)-N,N-dimethyl-aniline

Systemtic Name: 4-(1-docosyl-2-ethenyl-pyridin-1-ium-3-yl)-N,N-dimethyl-aniline Openeye Name: 4-(1-docosyl-2-vinyl-pyridin-1-ium-3-yl)-N,N-dimethyl-aniline CAS Name: 4-(1-docosyl-2-ethenyl-3-pyridin-1-iumyl)-N,N-dimethylaniline IUPAC Name: 4-(1-docosyl-2-ethenylpyridin-1-ium-3-yl)-N,N-dimethylaniline Traditional Name: [4-(1-behenyl-2-vinyl-pyridin-1-ium-3-yl)phenyl]-dimethyl-amine Formula: C37H61N2+ MolecularWeight: 533.89364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC[N+]1=CC=CC(=C1C=C)C2=CC=C(C=C2)N(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC[N+]1=CC=CC(=C1C=C)C2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C37H61N2/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-32-39-33-26-27-36(37(39)6-2)34-28-30-35(31-29-34)38(3)4/h6,26-31,33H,2,5,7-25,32H2,1,3-4H3/q+1