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

Systemtic Name: N-(3-methoxyphenyl)-3-(3-morpholin-4-ium-4-ylpropyl)-4-phenyl-1,3-thiazol-2-imine Openeye Name: N-(3-methoxyphenyl)-3-(3-morpholin-4-ium-4-ylpropyl)-4-phenyl-thiazol-2-imine CAS Name: N-(3-methoxyphenyl)-3-[3-(4-morpholin-4-iumyl)propyl]-4-phenyl-2-thiazolimine IUPAC Name: N-(3-methoxyphenyl)-3-(3-morpholin-4-ium-4-ylpropyl)-4-phenyl-1,3-thiazol-2-imine Traditional Name: (3-methoxyphenyl)-[3-(3-morpholin-4-ium-4-ylpropyl)-4-phenyl-4-thiazolin-2-ylidene]amine Formula: C23H28N3O2S+ MolecularWeight: 410.55232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O2S/c1-27-21-10-5-9-20(17-21)24-23-26(12-6-11-25-13-15-28-16-14-25)22(18-29-23)19-7-3-2-4-8-19/h2-5,7-10,17-18H,6,11-16H2,1H3/p+1