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

Systemtic Name: [2-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methyl-(piperidin-1-ium-4-ylmethyl)azanium Openeye Name: [2-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methyl-(piperidin-1-ium-4-ylmethyl)ammonium CAS Name: [2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl-(4-piperidin-1-iumylmethyl)ammonium IUPAC Name: [2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl-(piperidin-1-ium-4-ylmethyl)azanium Traditional Name: [2-(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=CC=CC(=C1OCC2=CC=C(C=C2)Cl)C[NH2+]CC3CC[NH2+]CC3

Isomeric SMILES

COC1=CC=CC(=C1OCC2=CC=C(C=C2)Cl)C[NH2+]CC3CC[NH2+]CC3

InChI

InChI=1S/C21H27ClN2O2/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/p+2