(2-azanyl-4-propan-2-yl-2H-1,3-thiazol-3-yl)-(3-methylphenyl)-diphenyl-phosphanium bromide

Systemtic Name: (2-azanyl-4-propan-2-yl-2H-1,3-thiazol-3-yl)-(3-methylphenyl)-diphenyl-phosphanium bromide Openeye Name: (2-amino-4-isopropyl-2H-thiazol-3-yl)-(m-tolyl)-diphenyl-phosphonium bromide CAS Name: (2-amino-4-propan-2-yl-2H-thiazol-3-yl)-(3-methylphenyl)-diphenylphosphonium bromide IUPAC Name: (2-amino-4-propan-2-yl-2H-1,3-thiazol-3-yl)-(3-methylphenyl)-diphenylphosphanium bromide Traditional Name: (2-amino-4-isopropyl-4-thiazolin-3-yl)-(m-tolyl)-diphenyl-phosphonium bromide Formula: C25H28BrN2PS MolecularWeight: 499.445981

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)N4C(SC=C4C(C)C)N.[Br-]

Isomeric SMILES

CC1=CC(=CC=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)N4C(SC=C4C(C)C)N.[Br-]

InChI

InChI=1S/C25H28N2PS.BrH/c1-19(2)24-18-29-25(26)27(24)28(21-12-6-4-7-13-21,22-14-8-5-9-15-22)23-16-10-11-20(3)17-23;/h4-19,25H,26H2,1-3H3;1H/q+1;/p-1