[3-bromanyl-4-[(2-chlorophenyl)methoxy]-5-ethoxy-phenyl]methyl-(3-ethoxypropyl)azanium

Systemtic Name: [3-bromanyl-4-[(2-chlorophenyl)methoxy]-5-ethoxy-phenyl]methyl-(3-ethoxypropyl)azanium Openeye Name: [3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxy-phenyl]methyl-(3-ethoxypropyl)ammonium CAS Name: [3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl-(3-ethoxypropyl)ammonium IUPAC Name: [3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl-(3-ethoxypropyl)azanium Traditional Name: [3-bromo-4-(2-chlorobenzyl)oxy-5-ethoxy-benzyl]-(3-ethoxypropyl)ammonium Formula: C21H28BrClNO3+ MolecularWeight: 457.80892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCC[NH2+]CC1=CC(=C(C(=C1)Br)OCC2=CC=CC=C2Cl)OCC

Isomeric SMILES

CCOCCC[NH2+]CC1=CC(=C(C(=C1)Br)OCC2=CC=CC=C2Cl)OCC

InChI

InChI=1S/C21H27BrClNO3/c1-3-25-11-7-10-24-14-16-12-18(22)21(20(13-16)26-4-2)27-15-17-8-5-6-9-19(17)23/h5-6,8-9,12-13,24H,3-4,7,10-11,14-15H2,1-2H3/p+1