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

Systemtic Name: 2-[4-(4-chlorophenyl)butyl]-3-pentyl-1H-imidazol-3-ium; dihydrogen phosphate Openeye Name: 2-[4-(4-chlorophenyl)butyl]-3-pentyl-1H-imidazol-3-ium; dihydrogen phosphate CAS Name: 2-[4-(4-chlorophenyl)butyl]-3-pentyl-1H-imidazol-3-ium; dihydrogen phosphate IUPAC Name: 2-[4-(4-chlorophenyl)butyl]-3-pentyl-1H-imidazol-3-ium; dihydrogen phosphate Traditional Name: 3-amyl-2-[4-(4-chlorophenyl)butyl]-1H-imidazol-3-ium; dihydrogen phosphate Formula: C18H28ClN2O4P MolecularWeight: 402.852681

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25ClN2.H3O4P/c1-2-3-6-14-21-15-13-20-18(21)8-5-4-7-16-9-11-17(19)12-10-16;1-5(2,3)4/h9-13,15H,2-8,14H2,1H3;(H3,1,2,3,4)