(3-bromanyl-5-ethoxy-4-prop-2-enoxy-phenyl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium

Systemtic Name: (3-bromanyl-5-ethoxy-4-prop-2-enoxy-phenyl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Openeye Name: (4-allyloxy-3-bromo-5-ethoxy-phenyl)methyl-(3-morpholin-4-ium-4-ylpropyl)ammonium CAS Name: (3-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methyl-[3-(4-morpholin-4-iumyl)propyl]ammonium IUPAC Name: (3-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Traditional Name: (4-allyloxy-3-bromo-5-ethoxy-benzyl)-(3-morpholin-4-ium-4-ylpropyl)ammonium Formula: C19H31BrN2O3+2 MolecularWeight: 415.36504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29BrN2O3/c1-3-10-25-19-17(20)13-16(14-18(19)24-4-2)15-21-6-5-7-22-8-11-23-12-9-22/h3,13-14,21H,1,4-12,15H2,2H3/p+2