[4-[(2-chlorophenyl)methoxy]-3-methoxy-phenyl]methyl-(piperidin-1-ium-4-ylmethyl)azanium

Systemtic Name: [4-[(2-chlorophenyl)methoxy]-3-methoxy-phenyl]methyl-(piperidin-1-ium-4-ylmethyl)azanium Openeye Name: [4-[(2-chlorophenyl)methoxy]-3-methoxy-phenyl]methyl-(piperidin-1-ium-4-ylmethyl)ammonium CAS Name: [4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl-(4-piperidin-1-iumylmethyl)ammonium IUPAC Name: [4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl-(piperidin-1-ium-4-ylmethyl)azanium Traditional Name: [4-(2-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=C3Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CC2CC[NH2+]CC2)OCC3=CC=CC=C3Cl

InChI

InChI=1S/C21H27ClN2O2/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/p+2