(3-bromanyl-4,5-diethoxy-phenyl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium

Systemtic Name: (3-bromanyl-4,5-diethoxy-phenyl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Openeye Name: (3-bromo-4,5-diethoxy-phenyl)methyl-(3-morpholin-4-ium-4-ylpropyl)ammonium CAS Name: (3-bromo-4,5-diethoxyphenyl)methyl-[3-(4-morpholin-4-iumyl)propyl]ammonium IUPAC Name: (3-bromo-4,5-diethoxyphenyl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Traditional Name: (3-bromo-4,5-diethoxy-benzyl)-(3-morpholin-4-ium-4-ylpropyl)ammonium Formula: C18H31BrN2O3+2 MolecularWeight: 403.35434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29BrN2O3/c1-3-23-17-13-15(12-16(19)18(17)24-4-2)14-20-6-5-7-21-8-10-22-11-9-21/h12-13,20H,3-11,14H2,1-2H3/p+2