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

Systemtic Name: [3-bromanyl-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxy-phenyl]methyl-(pyridin-3-ylmethyl)azanium Openeye Name: [3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxy-phenyl]methyl-(3-pyridylmethyl)ammonium CAS Name: [3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl-(3-pyridinylmethyl)ammonium IUPAC Name: [3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl-(pyridin-3-ylmethyl)azanium Traditional Name: [3-bromo-4-(2,4-dichlorobenzyl)oxy-5-ethoxy-benzyl]-(3-pyridylmethyl)ammonium Formula: C22H22BrCl2N2O2+ MolecularWeight: 497.23228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CC2=CN=CC=C2)Br)OCC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CC2=CN=CC=C2)Br)OCC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H21BrCl2N2O2/c1-2-28-21-9-16(13-27-12-15-4-3-7-26-11-15)8-19(23)22(21)29-14-17-5-6-18(24)10-20(17)25/h3-11,27H,2,12-14H2,1H3/p+1