3-(2-bromanylphenoxy)-N-methyl-3-thiophen-3-yl-propan-1-amine; butanedioic acid

Systemtic Name: 3-(2-bromanylphenoxy)-N-methyl-3-thiophen-3-yl-propan-1-amine; butanedioic acid Openeye Name: 3-(2-bromophenoxy)-N-methyl-3-(3-thienyl)propan-1-amine; succinic acid CAS Name: 3-(2-bromophenoxy)-N-methyl-3-(3-thiophenyl)-1-propanamine; butanedioic acid IUPAC Name: 3-(2-bromophenoxy)-N-methyl-3-thiophen-3-ylpropan-1-amine; butanedioic acid Traditional Name: [3-(2-bromophenoxy)-3-(3-thienyl)propyl]-methyl-amine; succinic acid Formula: C18H22BrNO5S MolecularWeight: 444.33998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNCCC(C1=CSC=C1)OC2=CC=CC=C2Br.C(CC(=O)O)C(=O)O

Isomeric SMILES

CNCCC(C1=CSC=C1)OC2=CC=CC=C2Br.C(CC(=O)O)C(=O)O

InChI

InChI=1S/C14H16BrNOS.C4H6O4/c1-16-8-6-13(11-7-9-18-10-11)17-14-5-3-2-4-12(14)15;5-3(6)1-2-4(7)8/h2-5,7,9-10,13,16H,6,8H2,1H3;1-2H2,(H,5,6)(H,7,8)