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

Systemtic Name: [4-[[2-(2-azanylethanoyl)-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]phenyl]methyl-tributyl-phosphanium Openeye Name: [4-[[2-(2-aminoacetyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]phenyl]methyl-tributyl-phosphonium CAS Name: [4-[[[2-(2-amino-1-oxoethyl)-3,4-dihydro-1H-isoquinolin-3-yl]-oxomethyl]amino]phenyl]methyl-tributylphosphonium IUPAC Name: [4-[[2-(2-aminoacetyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]phenyl]methyl-tributylphosphanium Traditional Name: tributyl-[4-[(2-glycyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)amino]benzyl]phosphonium Formula: C31H47N3O2P+ MolecularWeight: 524.697541

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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)CN

Isomeric SMILES

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

InChI

InChI=1S/C31H46N3O2P/c1-4-7-18-37(19-8-5-2,20-9-6-3)24-25-14-16-28(17-15-25)33-31(36)29-21-26-12-10-11-13-27(26)23-34(29)30(35)22-32/h10-17,29H,4-9,18-24,32H2,1-3H3/p+1