[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl-methyl-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]azanium

Systemtic Name: [2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl-methyl-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]azanium Openeye Name: [2-(3-bromophenyl)thiazol-4-yl]methyl-[2-(isopropylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-(3-bromophenyl)-4-thiazolyl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]ammonium IUPAC Name: [2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium Traditional Name: [2-(3-bromophenyl)thiazol-4-yl]methyl-[2-(isopropylamino)-2-keto-ethyl]-methyl-ammonium Formula: C16H21BrN3OS+ MolecularWeight: 383.32644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C[NH+](C)CC1=CSC(=N1)C2=CC(=CC=C2)Br

Isomeric SMILES

CC(C)NC(=O)C[NH+](C)CC1=CSC(=N1)C2=CC(=CC=C2)Br

InChI

InChI=1S/C16H20BrN3OS/c1-11(2)18-15(21)9-20(3)8-14-10-22-16(19-14)12-5-4-6-13(17)7-12/h4-7,10-11H,8-9H2,1-3H3,(H,18,21)/p+1