2-heptadecyl-1H-imidazol-1-ium phosphate

Systemtic Name: 2-heptadecyl-1H-imidazol-1-ium phosphate Openeye Name: 2-heptadecyl-1H-imidazol-1-ium phosphate CAS Name: 2-heptadecyl-1H-imidazol-1-ium phosphate IUPAC Name: 2-heptadecyl-1H-imidazol-1-ium phosphate Traditional Name: 2-heptadecyl-1H-imidazol-1-ium phosphate Formula: C60H117N6O4P MolecularWeight: 1017.582541

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=NC=C[NH2+]1.CCCCCCCCCCCCCCCCCC1=NC=C[NH2+]1.CCCCCCCCCCCCCCCCCC1=NC=C[NH2+]1.[O-]P(=O)([O-])[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=NC=C[NH2+]1.CCCCCCCCCCCCCCCCCC1=NC=C[NH2+]1.CCCCCCCCCCCCCCCCCC1=NC=C[NH2+]1.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/3C20H38N2.H3O4P/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21-18-19-22-20;1-5(2,3)4/h3*18-19H,2-17H2,1H3,(H,21,22);(H3,1,2,3,4)