(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methyl-(thiophen-2-ylmethyl)azanium

Systemtic Name: (3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methyl-(thiophen-2-ylmethyl)azanium Openeye Name: (4-allyloxy-3-bromo-5-methoxy-phenyl)methyl-(2-thienylmethyl)ammonium CAS Name: (3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: (3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl-(thiophen-2-ylmethyl)azanium Traditional Name: (4-allyloxy-3-bromo-5-methoxy-benzyl)-(2-thenyl)ammonium Formula: C16H19BrNO2S+ MolecularWeight: 369.29656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CC2=CC=CS2)Br)OCC=C

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CC2=CC=CS2)Br)OCC=C

InChI

InChI=1S/C16H18BrNO2S/c1-3-6-20-16-14(17)8-12(9-15(16)19-2)10-18-11-13-5-4-7-21-13/h3-5,7-9,18H,1,6,10-11H2,2H3/p+1