[2-benzamido-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]-triphenyl-phosphanium perchlorate

Systemtic Name: [2-benzamido-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]-triphenyl-phosphanium perchlorate Openeye Name: [2-benzamido-3-(benzylamino)-3-oxo-prop-1-enyl]-triphenyl-phosphonium perchlorate CAS Name: [2-benzamido-3-oxo-3-[(phenylmethyl)amino]prop-1-enyl]-triphenylphosphonium perchlorate IUPAC Name: [2-benzamido-3-(benzylamino)-3-oxoprop-1-enyl]-triphenylphosphanium perchlorate Traditional Name: [2-benzamido-3-(benzylamino)-3-keto-prop-1-enyl]-triphenyl-phosphonium perchlorate Formula: C35H30ClN2O6P MolecularWeight: 641.049261

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C(=C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C(=C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C35H29N2O2P.ClHO4/c38-34(29-18-8-2-9-19-29)37-33(35(39)36-26-28-16-6-1-7-17-28)27-40(30-20-10-3-11-21-30,31-22-12-4-13-23-31)32-24-14-5-15-25-32;2-1(3,4)5/h1-25,27H,26H2,(H-,36,37,38,39);(H,2,3,4,5)