[3-bromanyl-4-[(2-chlorophenyl)methoxy]-5-ethoxy-phenyl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium

Systemtic Name: [3-bromanyl-4-[(2-chlorophenyl)methoxy]-5-ethoxy-phenyl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Openeye Name: [3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxy-phenyl]methyl-(3-morpholin-4-ium-4-ylpropyl)ammonium CAS Name: [3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl-[3-(4-morpholin-4-iumyl)propyl]ammonium IUPAC Name: [3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Traditional Name: [3-bromo-4-(2-chlorobenzyl)oxy-5-ethoxy-benzyl]-(3-morpholin-4-ium-4-ylpropyl)ammonium Formula: C23H32BrClN2O3+2 MolecularWeight: 499.86878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CCC[NH+]2CCOCC2)Br)OCC3=CC=CC=C3Cl

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CCC[NH+]2CCOCC2)Br)OCC3=CC=CC=C3Cl

InChI

InChI=1S/C23H30BrClN2O3/c1-2-29-22-15-18(16-26-8-5-9-27-10-12-28-13-11-27)14-20(24)23(22)30-17-19-6-3-4-7-21(19)25/h3-4,6-7,14-15,26H,2,5,8-13,16-17H2,1H3/p+2