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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N=C2N(C(=CS2)C3=CC=CS3)CCC[NH+]4CCOCC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)N=C2N(C(=CS2)C3=CC=CS3)CCC[NH+]4CCOCC4)C

InChI

InChI=1S/C22H27N3OS2/c1-17-6-7-19(18(2)15-17)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