[4-[(3-chlorophenyl)methoxy]-3-methoxy-phenyl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium

Systemtic Name: [4-[(3-chlorophenyl)methoxy]-3-methoxy-phenyl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Openeye Name: [4-[(3-chlorophenyl)methoxy]-3-methoxy-phenyl]methyl-(3-morpholin-4-ium-4-ylpropyl)ammonium CAS Name: [4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl-[3-(4-morpholin-4-iumyl)propyl]ammonium IUPAC Name: [4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Traditional Name: [4-(3-chlorobenzyl)oxy-3-methoxy-benzyl]-(3-morpholin-4-ium-4-ylpropyl)ammonium Formula: C22H31ClN2O3+2 MolecularWeight: 406.94614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CCC[NH+]2CCOCC2)OCC3=CC(=CC=C3)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CCC[NH+]2CCOCC2)OCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H29ClN2O3/c1-26-22-15-18(16-24-8-3-9-25-10-12-27-13-11-25)6-7-21(22)28-17-19-4-2-5-20(23)14-19/h2,4-7,14-15,24H,3,8-13,16-17H2,1H3/p+2