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

Systemtic Name: [4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methyl-(piperidin-1-ium-4-ylmethyl)azanium Openeye Name: [4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methyl-(piperidin-1-ium-4-ylmethyl)ammonium CAS Name: [4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl-(4-piperidin-1-iumylmethyl)ammonium IUPAC Name: [4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl-(piperidin-1-ium-4-ylmethyl)azanium Traditional Name: [4-(4-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=C(C=C3)Cl

Isomeric SMILES

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

InChI

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