tributyl-[[4-[[2-(4-phenylbutanoyl)-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]phenyl]methyl]phosphanium

Systemtic Name: tributyl-[[4-[[2-(4-phenylbutanoyl)-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]phenyl]methyl]phosphanium Openeye Name: tributyl-[[4-[[2-(4-phenylbutanoyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]phenyl]methyl]phosphonium CAS Name: tributyl-[[4-[[oxo-[2-(1-oxo-4-phenylbutyl)-3,4-dihydro-1H-isoquinolin-3-yl]methyl]amino]phenyl]methyl]phosphonium IUPAC Name: tributyl-[[4-[[2-(4-phenylbutanoyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]phenyl]methyl]phosphanium Traditional Name: tributyl-[4-[[2-(4-phenylbutanoyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]benzyl]phosphonium Formula: C39H54N2O2P+ MolecularWeight: 613.832021

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[P+](CCCC)(CCCC)CC1=CC=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2C(=O)CCCC4=CC=CC=C4

Isomeric SMILES

CCCC[P+](CCCC)(CCCC)CC1=CC=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2C(=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C39H53N2O2P/c1-4-7-26-44(27-8-5-2,28-9-6-3)31-33-22-24-36(25-23-33)40-39(43)37-29-34-19-13-14-20-35(34)30-41(37)38(42)21-15-18-32-16-11-10-12-17-32/h10-14,16-17,19-20,22-25,37H,4-9,15,18,21,26-31H2,1-3H3/p+1