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

Systemtic Name: [3-bromanyl-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-tert-butyl-azanium Openeye Name: [3-bromo-5-methoxy-4-(2-thienylmethoxy)phenyl]methyl-tert-butyl-ammonium CAS Name: [3-bromo-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-tert-butylammonium IUPAC Name: [3-bromo-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-tert-butylazanium Traditional Name: [3-bromo-5-methoxy-4-(2-thenyloxy)benzyl]-tert-butyl-ammonium Formula: C17H23BrNO2S+ MolecularWeight: 385.33902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH2+]CC1=CC(=C(C(=C1)Br)OCC2=CC=CS2)OC

Isomeric SMILES

CC(C)(C)[NH2+]CC1=CC(=C(C(=C1)Br)OCC2=CC=CS2)OC

InChI

InChI=1S/C17H22BrNO2S/c1-17(2,3)19-10-12-8-14(18)16(15(9-12)20-4)21-11-13-6-5-7-22-13/h5-9,19H,10-11H2,1-4H3/p+1