N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-5-bromanyl-3-methyl-1-benzofuran-2-carboxamide

Systemtic Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-5-bromanyl-3-methyl-1-benzofuran-2-carboxamide Openeye Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]-5-bromo-3-methyl-benzofuran-2-carboxamide CAS Name: N-[(2S)-2-(1-azepan-1-iumyl)-2-thiophen-2-ylethyl]-5-bromo-3-methyl-2-benzofurancarboxamide IUPAC Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-ylethyl]-5-bromo-3-methyl-1-benzofuran-2-carboxamide Traditional Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]-5-bromo-3-methyl-coumarilamide Formula: C22H26BrN2O2S+ MolecularWeight: 462.42304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)NCC(C3=CC=CS3)[NH+]4CCCCCC4

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)NC[C@@H](C3=CC=CS3)[NH+]4CCCCCC4

InChI

InChI=1S/C22H25BrN2O2S/c1-15-17-13-16(23)8-9-19(17)27-21(15)22(26)24-14-18(20-7-6-12-28-20)25-10-4-2-3-5-11-25/h6-9,12-13,18H,2-5,10-11,14H2,1H3,(H,24,26)/p+1/t18-/m0/s1