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

Systemtic Name: N-(3-methoxyphenyl)-3-(3-morpholin-4-ium-4-ylpropyl)-4-thiophen-2-yl-1,3-thiazol-2-imine Openeye Name: N-(3-methoxyphenyl)-3-(3-morpholin-4-ium-4-ylpropyl)-4-(2-thienyl)thiazol-2-imine CAS Name: N-(3-methoxyphenyl)-3-[3-(4-morpholin-4-iumyl)propyl]-4-thiophen-2-yl-2-thiazolimine IUPAC Name: N-(3-methoxyphenyl)-3-(3-morpholin-4-ium-4-ylpropyl)-4-thiophen-2-yl-1,3-thiazol-2-imine Traditional Name: (3-methoxyphenyl)-[3-(3-morpholin-4-ium-4-ylpropyl)-4-(2-thienyl)-4-thiazolin-2-ylidene]amine Formula: C21H26N3O2S2+ MolecularWeight: 416.58004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N=C2N(C(=CS2)C3=CC=CS3)CCC[NH+]4CCOCC4

Isomeric SMILES

COC1=CC=CC(=C1)N=C2N(C(=CS2)C3=CC=CS3)CCC[NH+]4CCOCC4

InChI

InChI=1S/C21H25N3O2S2/c1-25-18-6-2-5-17(15-18)22-21-24(9-4-8-23-10-12-26-13-11-23)19(16-28-21)20-7-3-14-27-20/h2-3,5-7,14-16H,4,8-13H2,1H3/p+1