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

Systemtic Name: (5-bromanyl-2-prop-2-enoxy-phenyl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Openeye Name: (2-allyloxy-5-bromo-phenyl)methyl-(3-morpholin-4-ium-4-ylpropyl)ammonium CAS Name: (5-bromo-2-prop-2-enoxyphenyl)methyl-[3-(4-morpholin-4-iumyl)propyl]ammonium IUPAC Name: (5-bromo-2-prop-2-enoxyphenyl)methyl-(3-morpholin-4-ium-4-ylpropyl)azanium Traditional Name: (2-allyloxy-5-bromo-benzyl)-(3-morpholin-4-ium-4-ylpropyl)ammonium Formula: C17H27BrN2O2+2 MolecularWeight: 371.31248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25BrN2O2/c1-2-10-22-17-5-4-16(18)13-15(17)14-19-6-3-7-20-8-11-21-12-9-20/h2,4-5,13,19H,1,3,6-12,14H2/p+2