N-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]-N-phenyl-aniline bromide hydrate

Systemtic Name: N-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]-N-phenyl-aniline bromide hydrate Openeye Name: N-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]-N-phenyl-aniline bromide hydrate CAS Name: N-[2-(1-methyl-1-pyrrolidin-1-iumyl)ethyl]-N-phenylaniline bromide hydrate IUPAC Name: N-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]-N-phenylaniline bromide hydrate Traditional Name: 2-(1-methylpyrrolidin-1-ium-1-yl)ethyl-diphenyl-amine bromide hydrate Formula: C19H27BrN2O MolecularWeight: 379.33448

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1)CCN(C2=CC=CC=C2)C3=CC=CC=C3.O.[Br-]

Isomeric SMILES

C[N+]1(CCCC1)CCN(C2=CC=CC=C2)C3=CC=CC=C3.O.[Br-]

InChI

InChI=1S/C19H25N2.BrH.H2O/c1-21(15-8-9-16-21)17-14-20(18-10-4-2-5-11-18)19-12-6-3-7-13-19;;/h2-7,10-13H,8-9,14-17H2,1H3;1H;1H2/q+1;;/p-1