N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)thiophene-2-carboxamide

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)thiophene-2-carboxamide Openeye Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)thiophene-2-carboxamide CAS Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-[3-(4-morpholin-4-iumyl)propyl]-2-thiophenecarboxamide IUPAC Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)thiophene-2-carboxamide Traditional Name: N-(4,5-dimethyl-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:

CC1=C(C2=C(C=C1)SC(=N2)N(CCC[NH+]3CCOCC3)C(=O)C4=CC=CS4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CCC[NH+]3CCOCC3)C(=O)C4=CC=CS4)C

InChI

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