[3-bromanyl-4-[(4-chlorophenyl)methoxy]-5-methoxy-phenyl]methyl-(pyridin-3-ylmethyl)azanium

Systemtic Name: [3-bromanyl-4-[(4-chlorophenyl)methoxy]-5-methoxy-phenyl]methyl-(pyridin-3-ylmethyl)azanium Openeye Name: [3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxy-phenyl]methyl-(3-pyridylmethyl)ammonium CAS Name: [3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl-(3-pyridinylmethyl)ammonium IUPAC Name: [3-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl-(pyridin-3-ylmethyl)azanium Traditional Name: [3-bromo-4-(4-chlorobenzyl)oxy-5-methoxy-benzyl]-(3-pyridylmethyl)ammonium Formula: C21H21BrClN2O2+ MolecularWeight: 448.76064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CC2=CN=CC=C2)Br)OCC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CC2=CN=CC=C2)Br)OCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H20BrClN2O2/c1-26-20-10-17(13-25-12-16-3-2-8-24-11-16)9-19(22)21(20)27-14-15-4-6-18(23)7-5-15/h2-11,25H,12-14H2,1H3/p+1