1-[(5S)-5-[(3-bromophenyl)methyl]-5-morpholin-4-ium-4-yl-4-phenyl-1,3,4-thiadiazol-2-yl]ethanone

Systemtic Name: 1-[(5S)-5-[(3-bromophenyl)methyl]-5-morpholin-4-ium-4-yl-4-phenyl-1,3,4-thiadiazol-2-yl]ethanone Openeye Name: 1-[(5S)-5-[(3-bromophenyl)methyl]-5-morpholin-4-ium-4-yl-4-phenyl-1,3,4-thiadiazol-2-yl]ethanone CAS Name: 1-[(5S)-5-[(3-bromophenyl)methyl]-5-(4-morpholin-4-iumyl)-4-phenyl-1,3,4-thiadiazol-2-yl]ethanone IUPAC Name: 1-[(5S)-5-[(3-bromophenyl)methyl]-5-morpholin-4-ium-4-yl-4-phenyl-1,3,4-thiadiazol-2-yl]ethanone Traditional Name: 1-[(5S)-5-(3-bromobenzyl)-5-morpholin-4-ium-4-yl-4-phenyl-1,3,4-thiadiazol-2-yl]ethanone Formula: C21H23BrN3O2S+ MolecularWeight: 461.39522

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NN(C(S1)(CC2=CC(=CC=C2)Br)[NH+]3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=NN([C@](S1)(CC2=CC(=CC=C2)Br)[NH+]3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C21H22BrN3O2S/c1-16(26)20-23-25(19-8-3-2-4-9-19)21(28-20,24-10-12-27-13-11-24)15-17-6-5-7-18(22)14-17/h2-9,14H,10-13,15H2,1H3/p+1/t21-/m0/s1