N-(3,4-dimethylphenyl)-3-(3-morpholin-4-ylpropyl)-4-thiophen-2-yl-1,3-thiazol-3-ium-2-amine

Systemtic Name: N-(3,4-dimethylphenyl)-3-(3-morpholin-4-ylpropyl)-4-thiophen-2-yl-1,3-thiazol-3-ium-2-amine Openeye Name: N-(3,4-dimethylphenyl)-3-(3-morpholinopropyl)-4-(2-thienyl)thiazol-3-ium-2-amine CAS Name: N-(3,4-dimethylphenyl)-3-[3-(4-morpholinyl)propyl]-4-thiophen-2-yl-2-thiazol-3-iumamine IUPAC Name: N-(3,4-dimethylphenyl)-3-(3-morpholin-4-ylpropyl)-4-thiophen-2-yl-1,3-thiazol-3-ium-2-amine Traditional Name: (3,4-dimethylphenyl)-[3-(3-morpholinopropyl)-4-(2-thienyl)thiazol-3-ium-2-yl]amine Formula: C22H28N3OS2+ MolecularWeight: 414.60722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=[N+](C(=CS2)C3=CC=CS3)CCCN4CCOCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=[N+](C(=CS2)C3=CC=CS3)CCCN4CCOCC4)C

InChI

InChI=1S/C22H27N3OS2/c1-17-6-7-19(15-18(17)2)23-22-25(9-4-8-24-10-12-26-13-11-24)20(16-28-22)21-5-3-14-27-21/h3,5-7,14-16H,4,8-13H2,1-2H3/p+1