(4-aminocarbonylphenyl)-[3-aminocarbonyl-5-(phenylmethyl)thiophen-2-yl]-dimethyl-azanium

Systemtic Name: (4-aminocarbonylphenyl)-[3-aminocarbonyl-5-(phenylmethyl)thiophen-2-yl]-dimethyl-azanium Openeye Name: (5-benzyl-3-carbamoyl-2-thienyl)-(4-carbamoylphenyl)-dimethyl-ammonium CAS Name: (4-carbamoylphenyl)-[3-carbamoyl-5-(phenylmethyl)-2-thiophenyl]-dimethylammonium IUPAC Name: (5-benzyl-3-carbamoylthiophen-2-yl)-(4-carbamoylphenyl)-dimethylazanium Traditional Name: (5-benzyl-3-carbamoyl-2-thienyl)-(4-carbamoylphenyl)-dimethyl-ammonium Formula: C21H22N3O2S+ MolecularWeight: 380.48328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C1=CC=C(C=C1)C(=O)N)C2=C(C=C(S2)CC3=CC=CC=C3)C(=O)N

Isomeric SMILES

C[N+](C)(C1=CC=C(C=C1)C(=O)N)C2=C(C=C(S2)CC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C21H21N3O2S/c1-24(2,16-10-8-15(9-11-16)19(22)25)21-18(20(23)26)13-17(27-21)12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H3-,22,23,25,26)/p+1