[3-[(2-methylquinolin-6-yl)carbamoyl]phenyl]methyl-triphenyl-phosphanium iodide

Systemtic Name: [3-[(2-methylquinolin-6-yl)carbamoyl]phenyl]methyl-triphenyl-phosphanium iodide Openeye Name: [3-[(2-methyl-6-quinolyl)carbamoyl]phenyl]methyl-triphenyl-phosphonium iodide CAS Name: [3-[[(2-methyl-6-quinolinyl)amino]-oxomethyl]phenyl]methyl-triphenylphosphonium iodide IUPAC Name: [3-[(2-methylquinolin-6-yl)carbamoyl]phenyl]methyl-triphenylphosphanium iodide Traditional Name: [3-[(2-methyl-6-quinolyl)carbamoyl]benzyl]-triphenyl-phosphonium iodide Formula: C36H30IN2OP MolecularWeight: 664.514431

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C=C(C=C2)NC(=O)C3=CC(=CC=C3)C[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[I-]

Isomeric SMILES

CC1=NC2=C(C=C1)C=C(C=C2)NC(=O)C3=CC(=CC=C3)C[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[I-]

InChI

InChI=1S/C36H29N2OP.HI/c1-27-20-21-29-25-31(22-23-35(29)37-27)38-36(39)30-13-11-12-28(24-30)26-40(32-14-5-2-6-15-32,33-16-7-3-8-17-33)34-18-9-4-10-19-34;/h2-25H,26H2,1H3;1H