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

Systemtic Name: (3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium Openeye Name: (4-allyloxy-3-bromo-5-methoxy-phenyl)methyl-(2-morpholin-4-ium-4-ylethyl)ammonium CAS Name: (3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl-[2-(4-morpholin-4-iumyl)ethyl]ammonium IUPAC Name: (3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium Traditional Name: (4-allyloxy-3-bromo-5-methoxy-benzyl)-(2-morpholin-4-ium-4-ylethyl)ammonium Formula: C17H27BrN2O3+2 MolecularWeight: 387.31188

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CC[NH+]2CCOCC2)Br)OCC=C

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CC[NH+]2CCOCC2)Br)OCC=C

InChI

InChI=1S/C17H25BrN2O3/c1-3-8-23-17-15(18)11-14(12-16(17)21-2)13-19-4-5-20-6-9-22-10-7-20/h3,11-12,19H,1,4-10,13H2,2H3/p+2