dilithium 2-[[2-[[oxidanylidene(3-oxidanylpropyl)phosphaniumyl]amino]-3-phenyl-propanoyl]amino]pyridine-4-carboxylate

Systemtic Name: dilithium 2-[[2-[[oxidanylidene(3-oxidanylpropyl)phosphaniumyl]amino]-3-phenyl-propanoyl]amino]pyridine-4-carboxylate Openeye Name: dilithium 2-[[2-[[3-hydroxypropyl(oxo)phosphaniumyl]amino]-3-phenyl-propanoyl]amino]pyridine-4-carboxylate CAS Name: dilithium 2-[[2-[[3-hydroxypropyl(oxo)phosphiniumyl]amino]-1-oxo-3-phenylpropyl]amino]-4-pyridinecarboxylate IUPAC Name: dilithium 2-[[2-[[3-hydroxypropyl(oxo)phosphaniumyl]amino]-3-phenylpropanoyl]amino]pyridine-4-carboxylate Traditional Name: dilithium 2-[[2-[[3-hydroxypropyl(keto)phosphiniumyl]amino]-3-phenyl-propanoyl]amino]isonicotinate Formula: C36H40Li2N6O10P2+2 MolecularWeight: 792.566522

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].[Li+].C1=CC=C(C=C1)CC(C(=O)NC2=NC=CC(=C2)C(=O)[O-])N[P+](=O)CCCO.C1=CC=C(C=C1)CC(C(=O)NC2=NC=CC(=C2)C(=O)[O-])N[P+](=O)CCCO

Isomeric SMILES

[Li+].[Li+].C1=CC=C(C=C1)CC(C(=O)NC2=NC=CC(=C2)C(=O)[O-])N[P+](=O)CCCO.C1=CC=C(C=C1)CC(C(=O)NC2=NC=CC(=C2)C(=O)[O-])N[P+](=O)CCCO

InChI

InChI=1S/2C18H20N3O5P.2Li/c2*22-9-4-10-27(26)21-15(11-13-5-2-1-3-6-13)17(23)20-16-12-14(18(24)25)7-8-19-16;;/h2*1-3,5-8,12,15,22H,4,9-11H2,(H2-,19,20,21,23,24,25,26);;/q;;2*+1