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

Systemtic Name: N-(4-ethylphenyl)-3-(3-morpholin-4-ium-4-ylpropyl)-4-thiophen-2-yl-1,3-thiazol-2-imine Openeye Name: N-(4-ethylphenyl)-3-(3-morpholin-4-ium-4-ylpropyl)-4-(2-thienyl)thiazol-2-imine CAS Name: N-(4-ethylphenyl)-3-[3-(4-morpholin-4-iumyl)propyl]-4-thiophen-2-yl-2-thiazolimine IUPAC Name: N-(4-ethylphenyl)-3-(3-morpholin-4-ium-4-ylpropyl)-4-thiophen-2-yl-1,3-thiazol-2-imine Traditional Name: (4-ethylphenyl)-[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:

CCC1=CC=C(C=C1)N=C2N(C(=CS2)C3=CC=CS3)CCC[NH+]4CCOCC4

Isomeric SMILES

CCC1=CC=C(C=C1)N=C2N(C(=CS2)C3=CC=CS3)CCC[NH+]4CCOCC4

InChI

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