N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)thiophene-2-carboxamide

Systemtic Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)thiophene-2-carboxamide Openeye Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)thiophene-2-carboxamide CAS Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-[2-(4-morpholin-4-iumyl)ethyl]-2-thiophenecarboxamide IUPAC Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)thiophene-2-carboxamide Traditional Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)thiophene-2-carboxamide Formula: C20H24N3O2S2+ MolecularWeight: 402.55346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C)SC(=N2)N(CC[NH+]3CCOCC3)C(=O)C4=CC=CS4

Isomeric SMILES

CC1=C2C(=C(C=C1)C)SC(=N2)N(CC[NH+]3CCOCC3)C(=O)C4=CC=CS4

InChI

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