(3-bromanyl-4,5-diethoxy-phenyl)methyl-(thiophen-2-ylmethyl)azanium

Systemtic Name: (3-bromanyl-4,5-diethoxy-phenyl)methyl-(thiophen-2-ylmethyl)azanium Openeye Name: (3-bromo-4,5-diethoxy-phenyl)methyl-(2-thienylmethyl)ammonium CAS Name: (3-bromo-4,5-diethoxyphenyl)methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: (3-bromo-4,5-diethoxyphenyl)methyl-(thiophen-2-ylmethyl)azanium Traditional Name: (3-bromo-4,5-diethoxy-benzyl)-(2-thenyl)ammonium Formula: C16H21BrNO2S+ MolecularWeight: 371.31244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CC2=CC=CS2)Br)OCC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CC2=CC=CS2)Br)OCC

InChI

InChI=1S/C16H20BrNO2S/c1-3-19-15-9-12(8-14(17)16(15)20-4-2)10-18-11-13-6-5-7-21-13/h5-9,18H,3-4,10-11H2,1-2H3/p+1