(3-chloranyl-5-methoxy-4-phenylmethoxy-phenyl)methyl-(pyridin-4-ylmethyl)azanium chloride

Systemtic Name: (3-chloranyl-5-methoxy-4-phenylmethoxy-phenyl)methyl-(pyridin-4-ylmethyl)azanium chloride Openeye Name: (4-benzyloxy-3-chloro-5-methoxy-phenyl)methyl-(4-pyridylmethyl)ammonium chloride CAS Name: (3-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl-(pyridin-4-ylmethyl)ammonium chloride IUPAC Name: (3-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl-(pyridin-4-ylmethyl)azanium chloride Traditional Name: (4-benzoxy-3-chloro-5-methoxy-benzyl)-(4-pyridylmethyl)ammonium chloride Formula: C21H22Cl2N2O2 MolecularWeight: 405.31758

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CC2=CC=NC=C2)Cl)OCC3=CC=CC=C3.[Cl-]

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CC2=CC=NC=C2)Cl)OCC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C21H21ClN2O2.ClH/c1-25-20-12-18(14-24-13-16-7-9-23-10-8-16)11-19(22)21(20)26-15-17-5-3-2-4-6-17;/h2-12,24H,13-15H2,1H3;1H