[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]methyl-methyl-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]azanium

Systemtic Name: [4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]methyl-methyl-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]azanium Openeye Name: [4-(4-bromophenyl)-5-methyl-thiazol-2-yl]methyl-[2-(isopropylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: [4-(4-bromophenyl)-5-methyl-2-thiazolyl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]ammonium IUPAC Name: [4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium Traditional Name: [4-(4-bromophenyl)-5-methyl-thiazol-2-yl]methyl-[2-(isopropylamino)-2-keto-ethyl]-methyl-ammonium Formula: C17H23BrN3OS+ MolecularWeight: 397.35302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)C[NH+](C)CC(=O)NC(C)C)C2=CC=C(C=C2)Br

Isomeric SMILES

CC1=C(N=C(S1)C[NH+](C)CC(=O)NC(C)C)C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H22BrN3OS/c1-11(2)19-15(22)9-21(4)10-16-20-17(12(3)23-16)13-5-7-14(18)8-6-13/h5-8,11H,9-10H2,1-4H3,(H,19,22)/p+1