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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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