N-(cyclohexylmethyl)-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]aniline bromide

Systemtic Name: N-(cyclohexylmethyl)-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]aniline bromide Openeye Name: N-(cyclohexylmethyl)-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]aniline bromide CAS Name: N-(cyclohexylmethyl)-N-[2-(1-methyl-1-piperidin-1-iumyl)ethyl]aniline bromide IUPAC Name: N-(cyclohexylmethyl)-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]aniline bromide Traditional Name: cyclohexylmethyl-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]-phenyl-amine bromide Formula: C21H35BrN2 MolecularWeight: 395.42

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CCN(CC2CCCCC2)C3=CC=CC=C3.[Br-]

Isomeric SMILES

C[N+]1(CCCCC1)CCN(CC2CCCCC2)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C21H35N2.BrH/c1-23(16-9-4-10-17-23)18-15-22(21-13-7-3-8-14-21)19-20-11-5-2-6-12-20;/h3,7-8,13-14,20H,2,4-6,9-12,15-19H2,1H3;1H/q+1;/p-1