N-[[3-bromanyl-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]butan-1-amine hydrochloride

Systemtic Name: N-[[3-bromanyl-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]butan-1-amine hydrochloride Openeye Name: N-[[3-bromo-5-methoxy-4-(2-thienylmethoxy)phenyl]methyl]butan-1-amine hydrochloride CAS Name: N-[[3-bromo-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-1-butanamine hydrochloride IUPAC Name: N-[[3-bromo-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]butan-1-amine hydrochloride Traditional Name: [3-bromo-5-methoxy-4-(2-thenyloxy)benzyl]-butyl-amine hydrochloride Formula: C17H23BrClNO2S MolecularWeight: 420.79202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC1=CC(=C(C(=C1)Br)OCC2=CC=CS2)OC.Cl

Isomeric SMILES

CCCCNCC1=CC(=C(C(=C1)Br)OCC2=CC=CS2)OC.Cl

InChI

InChI=1S/C17H22BrNO2S.ClH/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;1H