[4-[(3-chlorophenyl)methoxy]-3-methoxy-phenyl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium

Systemtic Name: [4-[(3-chlorophenyl)methoxy]-3-methoxy-phenyl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium Openeye Name: [4-[(3-chlorophenyl)methoxy]-3-methoxy-phenyl]methyl-(2-morpholin-4-ium-4-ylethyl)ammonium CAS Name: [4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl-[2-(4-morpholin-4-iumyl)ethyl]ammonium IUPAC Name: [4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium Traditional Name: [4-(3-chlorobenzyl)oxy-3-methoxy-benzyl]-(2-morpholin-4-ium-4-ylethyl)ammonium Formula: C21H29ClN2O3+2 MolecularWeight: 392.91956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN2O3/c1-25-21-14-17(15-23-7-8-24-9-11-26-12-10-24)5-6-20(21)27-16-18-3-2-4-19(22)13-18/h2-6,13-14,23H,7-12,15-16H2,1H3/p+2