dicyclohexylazanium; 2-diethoxyphosphoryl-3-(1,2,4-triazol-1-yl)propanoate

Systemtic Name: dicyclohexylazanium; 2-diethoxyphosphoryl-3-(1,2,4-triazol-1-yl)propanoate Openeye Name: dicyclohexylammonium; 2-diethoxyphosphoryl-3-(1,2,4-triazol-1-yl)propanoate CAS Name: dicyclohexylammonium; 2-diethoxyphosphoryl-3-(1,2,4-triazol-1-yl)propanoate IUPAC Name: dicyclohexylazanium; 2-diethoxyphosphoryl-3-(1,2,4-triazol-1-yl)propanoate Traditional Name: dicyclohexylammonium; 2-diethoxyphosphoryl-3-(1,2,4-triazol-1-yl)propionate Formula: C21H39N4O5P MolecularWeight: 458.531921

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CN1C=NC=N1)C(=O)[O-])OCC.C1CCC(CC1)[NH2+]C2CCCCC2

Isomeric SMILES

CCOP(=O)(C(CN1C=NC=N1)C(=O)[O-])OCC.C1CCC(CC1)[NH2+]C2CCCCC2

InChI

InChI=1S/C12H23N.C9H16N3O5P/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-16-18(15,17-4-2)8(9(13)14)5-12-7-10-6-11-12/h11-13H,1-10H2;6-8H,3-5H2,1-2H3,(H,13,14)