2-chloroethyl-[(4-ethoxyphenyl)methyl]-methyl-(2-phenylazanylethyl)azanium chloride

Systemtic Name: 2-chloroethyl-[(4-ethoxyphenyl)methyl]-methyl-(2-phenylazanylethyl)azanium chloride Openeye Name: 2-anilinoethyl-(2-chloroethyl)-[(4-ethoxyphenyl)methyl]-methyl-ammonium chloride CAS Name: 2-anilinoethyl-(2-chloroethyl)-[(4-ethoxyphenyl)methyl]-methylammonium chloride IUPAC Name: 2-anilinoethyl-(2-chloroethyl)-[(4-ethoxyphenyl)methyl]-methylazanium chloride Traditional Name: 2-anilinoethyl-(2-chloroethyl)-(4-ethoxybenzyl)-methyl-ammonium chloride Formula: C20H28Cl2N2O MolecularWeight: 383.35512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[N+](C)(CCNC2=CC=CC=C2)CCCl.[Cl-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C[N+](C)(CCNC2=CC=CC=C2)CCCl.[Cl-]

InChI

InChI=1S/C20H28ClN2O.ClH/c1-3-24-20-11-9-18(10-12-20)17-23(2,15-13-21)16-14-22-19-7-5-4-6-8-19;/h4-12,22H,3,13-17H2,1-2H3;1H/q+1;/p-1