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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CSC(=NC3=CC=CC=C3)N2CCC[NH+]4CCOCC4

Isomeric SMILES

COC1=CC=CC(=C1)C2=CSC(=NC3=CC=CC=C3)N2CCC[NH+]4CCOCC4

InChI

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