N-[[4-[(2-chlorophenyl)methoxy]-3-methoxy-phenyl]methyl]-1-piperidin-1-ium-4-yl-methanamine chloride

Systemtic Name: N-[[4-[(2-chlorophenyl)methoxy]-3-methoxy-phenyl]methyl]-1-piperidin-1-ium-4-yl-methanamine chloride Openeye Name: N-[[4-[(2-chlorophenyl)methoxy]-3-methoxy-phenyl]methyl]-1-piperidin-1-ium-4-yl-methanamine chloride CAS Name: N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(4-piperidin-1-iumyl)methanamine chloride IUPAC Name: N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-piperidin-1-ium-4-ylmethanamine chloride Traditional Name: [4-(2-chlorobenzyl)oxy-3-methoxy-benzyl]-(piperidin-1-ium-4-ylmethyl)amine chloride Formula: C21H28Cl2N2O2 MolecularWeight: 411.36522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNCC2CC[NH2+]CC2)OCC3=CC=CC=C3Cl.[Cl-]

Isomeric SMILES

COC1=C(C=CC(=C1)CNCC2CC[NH2+]CC2)OCC3=CC=CC=C3Cl.[Cl-]

InChI

InChI=1S/C21H27ClN2O2.ClH/c1-25-21-12-17(14-24-13-16-8-10-23-11-9-16)6-7-20(21)26-15-18-4-2-3-5-19(18)22;/h2-7,12,16,23-24H,8-11,13-15H2,1H3;1H