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

Systemtic Name: (5-bromanyl-2-ethoxy-3-methoxy-phenyl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Openeye Name: (5-bromo-2-ethoxy-3-methoxy-phenyl)methyl-(3-morpholin-4-ium-4-ylpropyl)ammonium CAS Name: (5-bromo-2-ethoxy-3-methoxyphenyl)methyl-[3-(4-morpholin-4-iumyl)propyl]ammonium IUPAC Name: (5-bromo-2-ethoxy-3-methoxyphenyl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Traditional Name: (5-bromo-2-ethoxy-3-methoxy-benzyl)-(3-morpholin-4-ium-4-ylpropyl)ammonium Formula: C17H29BrN2O3+2 MolecularWeight: 389.32776

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1C[NH2+]CCC[NH+]2CCOCC2)Br)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1C[NH2+]CCC[NH+]2CCOCC2)Br)OC

InChI

InChI=1S/C17H27BrN2O3/c1-3-23-17-14(11-15(18)12-16(17)21-2)13-19-5-4-6-20-7-9-22-10-8-20/h11-12,19H,3-10,13H2,1-2H3/p+2