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

Systemtic Name: N-(2-methylphenyl)-3-(3-morpholin-4-ylpropyl)-4-thiophen-2-yl-1,3-thiazol-3-ium-2-amine Openeye Name: 3-(3-morpholinopropyl)-N-(o-tolyl)-4-(2-thienyl)thiazol-3-ium-2-amine CAS Name: N-(2-methylphenyl)-3-[3-(4-morpholinyl)propyl]-4-thiophen-2-yl-2-thiazol-3-iumamine IUPAC Name: N-(2-methylphenyl)-3-(3-morpholin-4-ylpropyl)-4-thiophen-2-yl-1,3-thiazol-3-ium-2-amine Traditional Name: [3-(3-morpholinopropyl)-4-(2-thienyl)thiazol-3-ium-2-yl]-(o-tolyl)amine Formula: C21H26N3OS2+ MolecularWeight: 400.58064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=[N+](C(=CS2)C3=CC=CS3)CCCN4CCOCC4

Isomeric SMILES

CC1=CC=CC=C1NC2=[N+](C(=CS2)C3=CC=CS3)CCCN4CCOCC4

InChI

InChI=1S/C21H25N3OS2/c1-17-6-2-3-7-18(17)22-21-24(10-5-9-23-11-13-25-14-12-23)19(16-27-21)20-8-4-15-26-20/h2-4,6-8,15-16H,5,9-14H2,1H3/p+1