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

Systemtic Name: 1-[4-(2-chlorophenyl)butyl]-3-heptyl-imidazol-3-ium; dihydrogen phosphate Openeye Name: 1-[4-(2-chlorophenyl)butyl]-3-heptyl-imidazol-3-ium; dihydrogen phosphate CAS Name: 1-[4-(2-chlorophenyl)butyl]-3-heptylimidazol-3-ium; dihydrogen phosphate IUPAC Name: 1-[4-(2-chlorophenyl)butyl]-3-heptylimidazol-3-ium; dihydrogen phosphate Traditional Name: 1-[4-(2-chlorophenyl)butyl]-3-heptyl-imidazol-3-ium; dihydrogen phosphate Formula: C20H32ClN2O4P MolecularWeight: 430.905841

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+]1=CN(C=C1)CCCCC2=CC=CC=C2Cl.OP(=O)(O)[O-]

Isomeric SMILES

CCCCCCC[N+]1=CN(C=C1)CCCCC2=CC=CC=C2Cl.OP(=O)(O)[O-]

InChI

InChI=1S/C20H30ClN2.H3O4P/c1-2-3-4-5-9-14-22-16-17-23(18-22)15-10-8-12-19-11-6-7-13-20(19)21;1-5(2,3)4/h6-7,11,13,16-18H,2-5,8-10,12,14-15H2,1H3;(H3,1,2,3,4)/q+1;/p-1