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

Systemtic Name: [3-bromanyl-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxy-phenyl]methyl-(3-butoxypropyl)azanium Openeye Name: [3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxy-phenyl]methyl-(3-butoxypropyl)ammonium CAS Name: [3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl-(3-butoxypropyl)ammonium IUPAC Name: [3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl-(3-butoxypropyl)azanium Traditional Name: [3-bromo-4-(2,4-dichlorobenzyl)oxy-5-ethoxy-benzyl]-(3-butoxypropyl)ammonium Formula: C23H31BrCl2NO3+ MolecularWeight: 520.30714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30BrCl2NO3/c1-3-5-10-28-11-6-9-27-15-17-12-20(24)23(22(13-17)29-4-2)30-16-18-7-8-19(25)14-21(18)26/h7-8,12-14,27H,3-6,9-11,15-16H2,1-2H3/p+1