N-[3-(2-methylpropoxy)-2-(1-methylpyrrolidin-1-ium-1-yl)propyl]-N-(phenylmethyl)aniline bromide

Systemtic Name: N-[3-(2-methylpropoxy)-2-(1-methylpyrrolidin-1-ium-1-yl)propyl]-N-(phenylmethyl)aniline bromide Openeye Name: N-benzyl-N-[3-isobutoxy-2-(1-methylpyrrolidin-1-ium-1-yl)propyl]aniline bromide CAS Name: N-[3-(2-methylpropoxy)-2-(1-methyl-1-pyrrolidin-1-iumyl)propyl]-N-(phenylmethyl)aniline bromide IUPAC Name: N-benzyl-N-[3-(2-methylpropoxy)-2-(1-methylpyrrolidin-1-ium-1-yl)propyl]aniline bromide Traditional Name: benzyl-[3-isobutoxy-2-(1-methylpyrrolidin-1-ium-1-yl)propyl]-phenyl-amine bromide Formula: C25H37BrN2O MolecularWeight: 461.47808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COCC(CN(CC1=CC=CC=C1)C2=CC=CC=C2)[N+]3(CCCC3)C.[Br-]

Isomeric SMILES

CC(C)COCC(CN(CC1=CC=CC=C1)C2=CC=CC=C2)[N+]3(CCCC3)C.[Br-]

InChI

InChI=1S/C25H37N2O.BrH/c1-22(2)20-28-21-25(27(3)16-10-11-17-27)19-26(24-14-8-5-9-15-24)18-23-12-6-4-7-13-23;/h4-9,12-15,22,25H,10-11,16-21H2,1-3H3;1H/q+1;/p-1