4-methylbenzenesulfonic acid; tetrakis[[methyl(methylcarbamoyl)amino]methyl]phosphanium

Systemtic Name: 4-methylbenzenesulfonic acid; tetrakis[[methyl(methylcarbamoyl)amino]methyl]phosphanium Openeye Name: 4-methylbenzenesulfonic acid; tetrakis[[methyl(methylcarbamoyl)amino]methyl]phosphonium CAS Name: 4-methylbenzenesulfonic acid; tetrakis[[methyl(methylcarbamoyl)amino]methyl]phosphonium IUPAC Name: 4-methylbenzenesulfonic acid; tetrakis[[methyl(methylcarbamoyl)amino]methyl]phosphanium Traditional Name: tetrakis[[methyl(methylcarbamoyl)amino]methyl]phosphonium; tosylic acid Formula: C23H44N8O7PS+ MolecularWeight: 607.683621

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CNC(=O)N(C)C[P+](CN(C)C(=O)NC)(CN(C)C(=O)NC)CN(C)C(=O)NC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CNC(=O)N(C)C[P+](CN(C)C(=O)NC)(CN(C)C(=O)NC)CN(C)C(=O)NC

InChI

InChI=1S/C16H35N8O4P.C7H8O3S/c1-17-13(25)21(5)9-29(10-22(6)14(26)18-2,11-23(7)15(27)19-3)12-24(8)16(28)20-4;1-6-2-4-7(5-3-6)11(8,9)10/h9-12H2,1-8H3,(H3-,17,18,19,20,25,26,27,28);2-5H,1H3,(H,8,9,10)/p+1