[3-chloranyl-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-(pyridin-3-ylmethyl)azanium chloride

Systemtic Name: [3-chloranyl-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-(pyridin-3-ylmethyl)azanium chloride Openeye Name: [3-chloro-5-methoxy-4-(2-thienylmethoxy)phenyl]methyl-(3-pyridylmethyl)ammonium chloride CAS Name: [3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-(3-pyridinylmethyl)ammonium chloride IUPAC Name: [3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-(pyridin-3-ylmethyl)azanium chloride Traditional Name: [3-chloro-5-methoxy-4-(2-thenyloxy)benzyl]-(3-pyridylmethyl)ammonium chloride Formula: C19H20Cl2N2O2S MolecularWeight: 411.3453

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CC2=CN=CC=C2)Cl)OCC3=CC=CS3.[Cl-]

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CC2=CN=CC=C2)Cl)OCC3=CC=CS3.[Cl-]

InChI

InChI=1S/C19H19ClN2O2S.ClH/c1-23-18-9-15(12-22-11-14-4-2-6-21-10-14)8-17(20)19(18)24-13-16-5-3-7-25-16;/h2-10,22H,11-13H2,1H3;1H