(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methyl-(2,2-dimethoxyethyl)azanium

Systemtic Name: (3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methyl-(2,2-dimethoxyethyl)azanium Openeye Name: (4-allyloxy-3-bromo-5-methoxy-phenyl)methyl-(2,2-dimethoxyethyl)ammonium CAS Name: (3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl-(2,2-dimethoxyethyl)ammonium IUPAC Name: (3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl-(2,2-dimethoxyethyl)azanium Traditional Name: (4-allyloxy-3-bromo-5-methoxy-benzyl)-(2,2-dimethoxyethyl)ammonium Formula: C15H23BrNO4+ MolecularWeight: 361.25142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22BrNO4/c1-5-6-21-15-12(16)7-11(8-13(15)18-2)9-17-10-14(19-3)20-4/h5,7-8,14,17H,1,6,9-10H2,2-4H3/p+1