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

Systemtic Name: N-(2,3-dimethylphenyl)-3-(3-morpholin-4-ium-4-ylpropyl)-4-thiophen-2-yl-1,3-thiazol-2-imine Openeye Name: N-(2,3-dimethylphenyl)-3-(3-morpholin-4-ium-4-ylpropyl)-4-(2-thienyl)thiazol-2-imine CAS Name: N-(2,3-dimethylphenyl)-3-[3-(4-morpholin-4-iumyl)propyl]-4-thiophen-2-yl-2-thiazolimine IUPAC Name: N-(2,3-dimethylphenyl)-3-(3-morpholin-4-ium-4-ylpropyl)-4-thiophen-2-yl-1,3-thiazol-2-imine Traditional Name: (2,3-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=C(C(=CC=C1)N=C2N(C(=CS2)C3=CC=CS3)CCC[NH+]4CCOCC4)C

Isomeric SMILES

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

InChI

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