(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methyl-[2-(2-hydroxyethylazaniumyl)ethyl]azanium

Systemtic Name: (3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methyl-[2-(2-hydroxyethylazaniumyl)ethyl]azanium Openeye Name: (4-allyloxy-3-bromo-5-methoxy-phenyl)methyl-[2-(2-hydroxyethylammonio)ethyl]ammonium CAS Name: (3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl-[2-(2-hydroxyethylammonio)ethyl]ammonium IUPAC Name: (3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl-[2-(2-hydroxyethylazaniumyl)ethyl]azanium Traditional Name: (4-allyloxy-3-bromo-5-methoxy-benzyl)-[2-(2-hydroxyethylammonio)ethyl]ammonium Formula: C15H25BrN2O3+2 MolecularWeight: 361.2746

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CC[NH2+]CCO)Br)OCC=C

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CC[NH2+]CCO)Br)OCC=C

InChI

InChI=1S/C15H23BrN2O3/c1-3-8-21-15-13(16)9-12(10-14(15)20-2)11-18-5-4-17-6-7-19/h3,9-10,17-19H,1,4-8,11H2,2H3/p+2