1-[5-(4-chlorophenyl)pentyl]-3-heptyl-imidazol-1-ium; dihydrogen phosphate

Systemtic Name: 1-[5-(4-chlorophenyl)pentyl]-3-heptyl-imidazol-1-ium; dihydrogen phosphate Openeye Name: 1-[5-(4-chlorophenyl)pentyl]-3-heptyl-imidazol-1-ium; dihydrogen phosphate CAS Name: 1-[5-(4-chlorophenyl)pentyl]-3-heptylimidazol-1-ium; dihydrogen phosphate IUPAC Name: 1-[5-(4-chlorophenyl)pentyl]-3-heptylimidazol-1-ium; dihydrogen phosphate Traditional Name: 1-[5-(4-chlorophenyl)pentyl]-3-heptyl-imidazol-1-ium; dihydrogen phosphate Formula: C21H34ClN2O4P MolecularWeight: 444.932421

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C=C[N+](=C1)CCCCCC2=CC=C(C=C2)Cl.OP(=O)(O)[O-]

Isomeric SMILES

CCCCCCCN1C=C[N+](=C1)CCCCCC2=CC=C(C=C2)Cl.OP(=O)(O)[O-]

InChI

InChI=1S/C21H32ClN2.H3O4P/c1-2-3-4-5-8-15-23-17-18-24(19-23)16-9-6-7-10-20-11-13-21(22)14-12-20;1-5(2,3)4/h11-14,17-19H,2-10,15-16H2,1H3;(H3,1,2,3,4)/q+1;/p-1