N,N'-dicyclohexylmethanediimine; pyridin-1-ium; phosphate

Systemtic Name: N,N'-dicyclohexylmethanediimine; pyridin-1-ium; phosphate Openeye Name: N,N'-dicyclohexylmethanediimine; pyridin-1-ium; phosphate CAS Name: N,N'-dicyclohexylmethanediimine; pyridin-1-ium; phosphate IUPAC Name: N,N'-dicyclohexylmethanediimine; pyridin-1-ium; phosphate Traditional Name: cyclohexyl(cyclohexyliminomethylene)amine; pyridin-1-ium; phosphate Formula: C54H84N9O4P MolecularWeight: 954.276421

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N=C=NC2CCCCC2.C1CCC(CC1)N=C=NC2CCCCC2.C1CCC(CC1)N=C=NC2CCCCC2.C1=CC=[NH+]C=C1.C1=CC=[NH+]C=C1.C1=CC=[NH+]C=C1.[O-]P(=O)([O-])[O-]

Isomeric SMILES

C1CCC(CC1)N=C=NC2CCCCC2.C1CCC(CC1)N=C=NC2CCCCC2.C1CCC(CC1)N=C=NC2CCCCC2.C1=CC=[NH+]C=C1.C1=CC=[NH+]C=C1.C1=CC=[NH+]C=C1.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/3C13H22N2.3C5H5N.H3O4P/c3*1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;3*1-2-4-6-5-3-1;1-5(2,3)4/h3*12-13H,1-10H2;3*1-5H;(H3,1,2,3,4)