N,N-dimethyl-4-[(E)-2-[1-(3-methylbutyl)pyridin-1-ium-2-yl]ethenyl]aniline

Systemtic Name: N,N-dimethyl-4-[(E)-2-[1-(3-methylbutyl)pyridin-1-ium-2-yl]ethenyl]aniline Openeye Name: 4-[(E)-2-(1-isopentylpyridin-1-ium-2-yl)vinyl]-N,N-dimethyl-aniline CAS Name: N,N-dimethyl-4-[(E)-2-[1-(3-methylbutyl)-2-pyridin-1-iumyl]ethenyl]aniline IUPAC Name: N,N-dimethyl-4-[(E)-2-[1-(3-methylbutyl)pyridin-1-ium-2-yl]ethenyl]aniline Traditional Name: [4-[(E)-2-(1-isoamylpyridin-1-ium-2-yl)vinyl]phenyl]-dimethyl-amine Formula: C20H27N2+ MolecularWeight: 295.44178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[N+]1=CC=CC=C1C=CC2=CC=C(C=C2)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H27N2/c1-17(2)14-16-22-15-6-5-7-20(22)13-10-18-8-11-19(12-9-18)21(3)4/h5-13,15,17H,14,16H2,1-4H3/q+1