4-bromanyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide

Systemtic Name: 4-bromanyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Openeye Name: 4-bromo-N-[4-(4-methoxyphenyl)thiazol-2-yl]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide CAS Name: 4-bromo-N-[4-(4-methoxyphenyl)-2-thiazolyl]-N-[3-(4-morpholin-4-iumyl)propyl]benzamide IUPAC Name: 4-bromo-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Traditional Name: 4-bromo-N-[4-(4-methoxyphenyl)thiazol-2-yl]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Formula: C24H27BrN3O3S+ MolecularWeight: 517.45848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC(=N2)N(CCC[NH+]3CCOCC3)C(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC(=N2)N(CCC[NH+]3CCOCC3)C(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C24H26BrN3O3S/c1-30-21-9-5-18(6-10-21)22-17-32-24(26-22)28(12-2-11-27-13-15-31-16-14-27)23(29)19-3-7-20(25)8-4-19/h3-10,17H,2,11-16H2,1H3/p+1