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

Systemtic Name: 4-(4-chlorophenyl)butyl-diethyl-heptyl-azanium phosphate Openeye Name: 4-(4-chlorophenyl)butyl-diethyl-heptyl-ammonium phosphate CAS Name: 4-(4-chlorophenyl)butyl-diethyl-heptylammonium phosphate IUPAC Name: 4-(4-chlorophenyl)butyl-diethyl-heptylazanium phosphate Traditional Name: 4-(4-chlorophenyl)butyl-diethyl-heptyl-ammonium phosphate Formula: C63H111Cl3N3O4P MolecularWeight: 1111.905901

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C21H37ClN.H3O4P/c3*1-4-7-8-9-11-18-23(5-2,6-3)19-12-10-13-20-14-16-21(22)17-15-20;1-5(2,3)4/h3*14-17H,4-13,18-19H2,1-3H3;(H3,1,2,3,4)/q3*+1;/p-3