1,5-bis(2-cyanoethoxy)pentan-3-yl-[(4-chlorophenyl)methyl]azanium bromide

Systemtic Name: 1,5-bis(2-cyanoethoxy)pentan-3-yl-[(4-chlorophenyl)methyl]azanium bromide Openeye Name: (4-chlorophenyl)methyl-[3-(2-cyanoethoxy)-1-[2-(2-cyanoethoxy)ethyl]propyl]ammonium bromide CAS Name: 1,5-bis(2-cyanoethoxy)pentan-3-yl-[(4-chlorophenyl)methyl]ammonium bromide IUPAC Name: 1,5-bis(2-cyanoethoxy)pentan-3-yl-[(4-chlorophenyl)methyl]azanium bromide Traditional Name: (4-chlorobenzyl)-[3-(2-cyanoethoxy)-1-[2-(2-cyanoethoxy)ethyl]propyl]ammonium bromide Formula: C18H25BrClN3O2 MolecularWeight: 430.767

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C[NH2+]C(CCOCCC#N)CCOCCC#N)Cl.[Br-]

Isomeric SMILES

C1=CC(=CC=C1C[NH2+]C(CCOCCC#N)CCOCCC#N)Cl.[Br-]

InChI

InChI=1S/C18H24ClN3O2.BrH/c19-17-5-3-16(4-6-17)15-22-18(7-13-23-11-1-9-20)8-14-24-12-2-10-21;/h3-6,18,22H,1-2,7-8,11-15H2;1H