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

Systemtic Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)thiophene-2-carboxamide Openeye Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)thiophene-2-carboxamide CAS Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-N-[3-(4-morpholin-4-iumyl)propyl]-2-thiophenecarboxamide IUPAC Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)thiophene-2-carboxamide Traditional Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)thiophene-2-carboxamide Formula: C21H26N3O2S2+ MolecularWeight: 416.58004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S2/c1-2-16-6-3-7-17-19(16)22-21(28-17)24(20(25)18-8-4-15-27-18)10-5-9-23-11-13-26-14-12-23/h3-4,6-8,15H,2,5,9-14H2,1H3/p+1