[(E)-1-(4-chlorophenyl)but-2-enyl]-diethyl-heptyl-azanium; dihydrogen phosphate

Systemtic Name: [(E)-1-(4-chlorophenyl)but-2-enyl]-diethyl-heptyl-azanium; dihydrogen phosphate Openeye Name: [(E)-1-(4-chlorophenyl)but-2-enyl]-diethyl-heptyl-ammonium; dihydrogen phosphate CAS Name: [(E)-1-(4-chlorophenyl)but-2-enyl]-diethyl-heptylammonium; dihydrogen phosphate IUPAC Name: [(E)-1-(4-chlorophenyl)but-2-enyl]-diethyl-heptylazanium; dihydrogen phosphate Traditional Name: [(E)-1-(4-chlorophenyl)but-2-enyl]-diethyl-heptyl-ammonium; dihydrogen phosphate Formula: C21H37ClNO4P MolecularWeight: 433.949541

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35ClN.H3O4P/c1-5-9-10-11-12-18-23(7-3,8-4)21(13-6-2)19-14-16-20(22)17-15-19;1-5(2,3)4/h6,13-17,21H,5,7-12,18H2,1-4H3;(H3,1,2,3,4)/q+1;/p-1/b13-6+;