4-(4-chlorophenyl)butyl-diethyl-heptyl-azanium; dihydrogen phosphate

Systemtic Name: 4-(4-chlorophenyl)butyl-diethyl-heptyl-azanium; dihydrogen phosphate Openeye Name: 4-(4-chlorophenyl)butyl-diethyl-heptyl-ammonium; dihydrogen phosphate CAS Name: 4-(4-chlorophenyl)butyl-diethyl-heptylammonium; dihydrogen phosphate IUPAC Name: 4-(4-chlorophenyl)butyl-diethyl-heptylazanium; dihydrogen phosphate Traditional Name: 4-(4-chlorophenyl)butyl-diethyl-heptyl-ammonium; dihydrogen phosphate Formula: C21H39ClNO4P MolecularWeight: 435.965421

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+](CC)(CC)CCCCC1=CC=C(C=C1)Cl.OP(=O)(O)[O-]

Isomeric SMILES

CCCCCCC[N+](CC)(CC)CCCCC1=CC=C(C=C1)Cl.OP(=O)(O)[O-]

InChI

InChI=1S/C21H37ClN.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/h14-17H,4-13,18-19H2,1-3H3;(H3,1,2,3,4)/q+1;/p-1