[(1S)-2-[(5-bromanyl-3-methyl-1-benzofuran-2-yl)carbonylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[(5-bromanyl-3-methyl-1-benzofuran-2-yl)carbonylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(5-bromo-3-methyl-benzofuran-2-carbonyl)amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(5-bromo-3-methyl-2-benzofuranyl)-oxomethyl]amino]-1-(3-thiophenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(5-bromo-3-methyl-1-benzofuran-2-carbonyl)amino]-1-thiophen-3-ylethyl]-dimethylazanium Traditional Name: [(1S)-2-[(5-bromo-3-methyl-benzofuran-2-carbonyl)amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium Formula: C18H20BrN2O2S+ MolecularWeight: 408.3326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)NCC(C3=CSC=C3)[NH+](C)C

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)NC[C@H](C3=CSC=C3)[NH+](C)C

InChI

InChI=1S/C18H19BrN2O2S/c1-11-14-8-13(19)4-5-16(14)23-17(11)18(22)20-9-15(21(2)3)12-6-7-24-10-12/h4-8,10,15H,9H2,1-3H3,(H,20,22)/p+1/t15-/m1/s1