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

Systemtic Name: N-[[2-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methyl]-1-piperidin-1-ium-4-yl-methanamine chloride Openeye Name: N-[[2-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methyl]-1-piperidin-1-ium-4-yl-methanamine chloride CAS Name: N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(4-piperidin-1-iumyl)methanamine chloride IUPAC Name: N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-piperidin-1-ium-4-ylmethanamine chloride Traditional Name: [2-(4-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=CC=CC(=C1OCC2=CC=C(C=C2)Cl)CNCC3CC[NH2+]CC3.[Cl-]

Isomeric SMILES

COC1=CC=CC(=C1OCC2=CC=C(C=C2)Cl)CNCC3CC[NH2+]CC3.[Cl-]

InChI

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