N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)thiophene-2-carboxamide

Systemtic Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)thiophene-2-carboxamide Openeye Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)thiophene-2-carboxamide CAS Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-N-[2-(4-morpholin-4-iumyl)ethyl]-2-thiophenecarboxamide IUPAC Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)thiophene-2-carboxamide Traditional Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)thiophene-2-carboxamide Formula: C20H24N3O2S2+ MolecularWeight: 402.55346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=N2)N(CC[NH+]3CCOCC3)C(=O)C4=CC=CS4

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)N(CC[NH+]3CCOCC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C20H23N3O2S2/c1-2-15-5-3-6-16-18(15)21-20(27-16)23(19(24)17-7-4-14-26-17)9-8-22-10-12-25-13-11-22/h3-7,14H,2,8-13H2,1H3/p+1