4-(4-chlorophenyl)butyl-diethyl-heptyl-azanium; 4-methylbenzenesulfonate

Systemtic Name: 4-(4-chlorophenyl)butyl-diethyl-heptyl-azanium; 4-methylbenzenesulfonate Openeye Name: 4-(4-chlorophenyl)butyl-diethyl-heptyl-ammonium; 4-methylbenzenesulfonate CAS Name: 4-(4-chlorophenyl)butyl-diethyl-heptylammonium; 4-methylbenzenesulfonate IUPAC Name: 4-(4-chlorophenyl)butyl-diethyl-heptylazanium; 4-methylbenzenesulfonate Traditional Name: 4-(4-chlorophenyl)butyl-diethyl-heptyl-ammonium tosylate Formula: C28H44ClNO3S MolecularWeight: 510.17186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+](CC)(CC)CCCCC1=CC=C(C=C1)Cl.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCC[N+](CC)(CC)CCCCC1=CC=C(C=C1)Cl.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C21H37ClN.C7H8O3S/c1-4-7-8-9-11-18-23(5-2,6-3)19-12-10-13-20-14-16-21(22)17-15-20;1-6-2-4-7(5-3-6)11(8,9)10/h14-17H,4-13,18-19H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1