1-heptyl-4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-ium; hydrogen phosphate; phosphenous acid

Systemtic Name: 1-heptyl-4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-ium; hydrogen phosphate; phosphenous acid Openeye Name: 1-heptyl-4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-ium; hydrogen phosphate; phosphenous acid CAS Name: 1-heptyl-4-(1-heptyl-4-pyridin-1-iumyl)pyridin-1-ium; hydrogen phosphate; phosphenous acid IUPAC Name: 1-heptyl-4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-ium; hydrogen phosphate; phosphenous acid Traditional Name: 1-heptyl-4-(1-heptylpyridin-1-ium-4-yl)pyridin-1-ium; hydrogen phosphate; phosphenous acid Formula: C24H40N2O6P2 MolecularWeight: 514.531722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CCCCCCC.OP=O.OP(=O)([O-])[O-]

Isomeric SMILES

CCCCCCC[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CCCCCCC.OP=O.OP(=O)([O-])[O-]

InChI

InChI=1S/C24H38N2.H3O4P.HO2P/c1-3-5-7-9-11-17-25-19-13-23(14-20-25)24-15-21-26(22-16-24)18-12-10-8-6-4-2;1-5(2,3)4;1-3-2/h13-16,19-22H,3-12,17-18H2,1-2H3;(H3,1,2,3,4);(H,1,2)/q+2;;/p-2