1-[4-(4-chlorophenyl)butyl]-3-heptyl-2-methyl-imidazol-3-ium; dihydrogen phosphate

Systemtic Name: 1-[4-(4-chlorophenyl)butyl]-3-heptyl-2-methyl-imidazol-3-ium; dihydrogen phosphate Openeye Name: 1-[4-(4-chlorophenyl)butyl]-3-heptyl-2-methyl-imidazol-3-ium; dihydrogen phosphate CAS Name: 1-[4-(4-chlorophenyl)butyl]-3-heptyl-2-methylimidazol-3-ium; dihydrogen phosphate IUPAC Name: 1-[4-(4-chlorophenyl)butyl]-3-heptyl-2-methylimidazol-3-ium; dihydrogen phosphate Traditional Name: 1-[4-(4-chlorophenyl)butyl]-3-heptyl-2-methyl-imidazol-3-ium; dihydrogen phosphate Formula: C21H34ClN2O4P MolecularWeight: 444.932421

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+]1=C(N(C=C1)CCCCC2=CC=C(C=C2)Cl)C.OP(=O)(O)[O-]

Isomeric SMILES

CCCCCCC[N+]1=C(N(C=C1)CCCCC2=CC=C(C=C2)Cl)C.OP(=O)(O)[O-]

InChI

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