5-[(2-acetamido-3-methyl-3-nitroso-butanethioyl)amino]pentyl-triphenyl-phosphanium; methanesulfonate

Systemtic Name: 5-[(2-acetamido-3-methyl-3-nitroso-butanethioyl)amino]pentyl-triphenyl-phosphanium; methanesulfonate Openeye Name: 5-[(2-acetamido-3-methyl-3-nitroso-butanethioyl)amino]pentyl-triphenyl-phosphonium; methanesulfonate CAS Name: 5-[(2-acetamido-3-methyl-3-nitroso-1-sulfanylidenebutyl)amino]pentyl-triphenylphosphonium; methanesulfonate IUPAC Name: 5-[(2-acetamido-3-methyl-3-nitrosobutanethioyl)amino]pentyl-triphenylphosphanium; methanesulfonate Traditional Name: 5-[(2-acetamido-3-methyl-3-nitroso-butanethioyl)amino]pentyl-triphenyl-phosphonium mesylate Formula: C31H40N3O5PS2 MolecularWeight: 629.770161

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C(=S)NCCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(C)(C)N=O.CS(=O)(=O)[O-]

Isomeric SMILES

CC(=O)NC(C(=S)NCCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(C)(C)N=O.CS(=O)(=O)[O-]

InChI

InChI=1S/C30H36N3O2PS.CH4O3S/c1-24(34)32-28(30(2,3)33-35)29(37)31-22-14-7-15-23-36(25-16-8-4-9-17-25,26-18-10-5-11-19-26)27-20-12-6-13-21-27;1-5(2,3)4/h4-6,8-13,16-21,28H,7,14-15,22-23H2,1-3H3,(H-,31,32,34,37);1H3,(H,2,3,4)