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

Systemtic Name: 4-[(E)-2-[1-(1-adamantyl)pyridin-1-ium-4-yl]ethenyl]-N,N-dimethyl-aniline bromide Openeye Name: 4-[(E)-2-[1-(1-adamantyl)pyridin-1-ium-4-yl]vinyl]-N,N-dimethyl-aniline bromide CAS Name: 4-[(E)-2-[1-(1-adamantyl)-4-pyridin-1-iumyl]ethenyl]-N,N-dimethylaniline bromide IUPAC Name: 4-[(E)-2-[1-(1-adamantyl)pyridin-1-ium-4-yl]ethenyl]-N,N-dimethylaniline bromide Traditional Name: [4-[(E)-2-[1-(1-adamantyl)pyridin-1-ium-4-yl]vinyl]phenyl]-dimethyl-amine bromide Formula: C25H31BrN2 MolecularWeight: 439.43104

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=CC2=CC=[N+](C=C2)C34CC5CC(C3)CC(C5)C4.[Br-]

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C/C2=CC=[N+](C=C2)C34CC5CC(C3)CC(C5)C4.[Br-]

InChI

InChI=1S/C25H31N2.BrH/c1-26(2)24-7-5-19(6-8-24)3-4-20-9-11-27(12-10-20)25-16-21-13-22(17-25)15-23(14-21)18-25;/h3-12,21-23H,13-18H2,1-2H3;1H/q+1;/p-1