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

Systemtic Name: [(E)-4-(4-chlorophenyl)but-2-enyl]-diethyl-heptyl-azanium phosphate Openeye Name: [(E)-4-(4-chlorophenyl)but-2-enyl]-diethyl-heptyl-ammonium phosphate CAS Name: [(E)-4-(4-chlorophenyl)but-2-enyl]-diethyl-heptylammonium phosphate IUPAC Name: [(E)-4-(4-chlorophenyl)but-2-enyl]-diethyl-heptylazanium phosphate Traditional Name: [(E)-4-(4-chlorophenyl)but-2-enyl]-diethyl-heptyl-ammonium phosphate Formula: C21H35ClNO4P-2 MolecularWeight: 431.933661

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+](CC)(CC)CC=CCC1=CC=C(C=C1)Cl.[O-]P(=O)([O-])[O-]

Isomeric SMILES

CCCCCCC[N+](CC)(CC)C/C=C/CC1=CC=C(C=C1)Cl.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C21H35ClN.H3O4P/c1-4-7-8-9-11-18-23(5-2,6-3)19-12-10-13-20-14-16-21(22)17-15-20;1-5(2,3)4/h10,12,14-17H,4-9,11,13,18-19H2,1-3H3;(H3,1,2,3,4)/q+1;/p-3/b12-10+;