4-[(Z)-2-(1-docosylpyridin-1-ium-4-yl)ethenyl]-N,N-dimethyl-aniline

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)C=CC2=CC=C(C=C2)N(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)/C=C\C2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C37H61N2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-32-39-33-30-36(31-34-39)25-24-35-26-28-37(29-27-35)38(2)3/h24-31,33-34H,4-23,32H2,1-3H3/q+1