[2-oxidanylidene-2-[[4-[(propanoylamino)methyl]-2-sulfo-phenyl]methylamino]ethyl]-triphenyl-phosphanium

Systemtic Name: [2-oxidanylidene-2-[[4-[(propanoylamino)methyl]-2-sulfo-phenyl]methylamino]ethyl]-triphenyl-phosphanium Openeye Name: [2-oxo-2-[[4-[(propanoylamino)methyl]-2-sulfo-phenyl]methylamino]ethyl]-triphenyl-phosphonium CAS Name: [2-oxo-2-[[4-[(1-oxopropylamino)methyl]-2-sulfophenyl]methylamino]ethyl]-triphenylphosphonium IUPAC Name: [2-oxo-2-[[4-[(propanoylamino)methyl]-2-sulfophenyl]methylamino]ethyl]-triphenylphosphanium Traditional Name: [2-keto-2-[[4-(propionamidomethyl)-2-sulfo-benzyl]amino]ethyl]-triphenyl-phosphonium Formula: C31H32N2O5PS+ MolecularWeight: 575.634941

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NCC1=CC(=C(C=C1)CNC(=O)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)S(=O)(=O)O

Isomeric SMILES

CCC(=O)NCC1=CC(=C(C=C1)CNC(=O)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)S(=O)(=O)O

InChI

InChI=1S/C31H31N2O5PS/c1-2-30(34)32-21-24-18-19-25(29(20-24)40(36,37)38)22-33-31(35)23-39(26-12-6-3-7-13-26,27-14-8-4-9-15-27)28-16-10-5-11-17-28/h3-20H,2,21-23H2,1H3,(H2-,32,33,34,35,36,37,38)/p+1