(5-cyano-5,5-diphenyl-pentyl)-dimethyl-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]azanium

Systemtic Name: (5-cyano-5,5-diphenyl-pentyl)-dimethyl-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]azanium Openeye Name: (5-cyano-5,5-diphenyl-pentyl)-dimethyl-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]ammonium CAS Name: (5-cyano-5,5-diphenylpentyl)-dimethyl-[2-(4-methyl-4-morpholin-4-iumyl)ethyl]ammonium IUPAC Name: (5-cyano-5,5-diphenylpentyl)-dimethyl-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]azanium Traditional Name: (5-cyano-5,5-diphenyl-pentyl)-dimethyl-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]ammonium Formula: C27H39N3O+2 MolecularWeight: 421.61806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCOCC1)CC[N+](C)(C)CCCCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C[N+]1(CCOCC1)CC[N+](C)(C)CCCCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C27H39N3O/c1-29(2,18-19-30(3)20-22-31-23-21-30)17-11-10-16-27(24-28,25-12-6-4-7-13-25)26-14-8-5-9-15-26/h4-9,12-15H,10-11,16-23H2,1-3H3/q+2