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

Systemtic Name: [3-bromanyl-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxy-phenyl]methyl-(3-ethoxypropyl)azanium Openeye Name: [3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxy-phenyl]methyl-(3-ethoxypropyl)ammonium CAS Name: [3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl-(3-ethoxypropyl)ammonium IUPAC Name: [3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl-(3-ethoxypropyl)azanium Traditional Name: [3-bromo-4-(2,4-dichlorobenzyl)oxy-5-ethoxy-benzyl]-(3-ethoxypropyl)ammonium Formula: C21H27BrCl2NO3+ MolecularWeight: 492.25398

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCC[NH2+]CC1=CC(=C(C(=C1)Br)OCC2=C(C=C(C=C2)Cl)Cl)OCC

Isomeric SMILES

CCOCCC[NH2+]CC1=CC(=C(C(=C1)Br)OCC2=C(C=C(C=C2)Cl)Cl)OCC

InChI

InChI=1S/C21H26BrCl2NO3/c1-3-26-9-5-8-25-13-15-10-18(22)21(20(11-15)27-4-2)28-14-16-6-7-17(23)12-19(16)24/h6-7,10-12,25H,3-5,8-9,13-14H2,1-2H3/p+1