[4-[(3-chlorophenyl)methoxy]-3-methoxy-phenyl]methyl-(piperidin-1-ium-4-ylmethyl)azanium

Systemtic Name: [4-[(3-chlorophenyl)methoxy]-3-methoxy-phenyl]methyl-(piperidin-1-ium-4-ylmethyl)azanium Openeye Name: [4-[(3-chlorophenyl)methoxy]-3-methoxy-phenyl]methyl-(piperidin-1-ium-4-ylmethyl)ammonium CAS Name: [4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl-(4-piperidin-1-iumylmethyl)ammonium IUPAC Name: [4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl-(piperidin-1-ium-4-ylmethyl)azanium Traditional Name: [4-(3-chlorobenzyl)oxy-3-methoxy-benzyl]-(piperidin-1-ium-4-ylmethyl)ammonium Formula: C21H29ClN2O2+2 MolecularWeight: 376.92016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CC2CC[NH2+]CC2)OCC3=CC(=CC=C3)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CC2CC[NH2+]CC2)OCC3=CC(=CC=C3)Cl

InChI

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