[3-bromanyl-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-(2-hydroxyethyl)azanium

Systemtic Name: [3-bromanyl-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-(2-hydroxyethyl)azanium Openeye Name: [3-bromo-5-methoxy-4-(2-thienylmethoxy)phenyl]methyl-(2-hydroxyethyl)ammonium CAS Name: [3-bromo-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-(2-hydroxyethyl)ammonium IUPAC Name: [3-bromo-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-(2-hydroxyethyl)azanium Traditional Name: [3-bromo-5-methoxy-4-(2-thenyloxy)benzyl]-(2-hydroxyethyl)ammonium Formula: C15H19BrNO3S+ MolecularWeight: 373.28526

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CCO)Br)OCC2=CC=CS2

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CCO)Br)OCC2=CC=CS2

InChI

InChI=1S/C15H18BrNO3S/c1-19-14-8-11(9-17-4-5-18)7-13(16)15(14)20-10-12-3-2-6-21-12/h2-3,6-8,17-18H,4-5,9-10H2,1H3/p+1