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

Systemtic Name: benzenesulfonate; 4-(4-chlorophenyl)butyl-diethyl-heptyl-azanium Openeye Name: benzenesulfonate; 4-(4-chlorophenyl)butyl-diethyl-heptyl-ammonium CAS Name: benzenesulfonate; 4-(4-chlorophenyl)butyl-diethyl-heptylammonium IUPAC Name: benzenesulfonate; 4-(4-chlorophenyl)butyl-diethyl-heptylazanium Traditional Name: 4-(4-chlorophenyl)butyl-diethyl-heptyl-ammonium besylate Formula: C27H42ClNO3S MolecularWeight: 496.14528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H37ClN.C6H6O3S/c1-4-7-8-9-11-18-23(5-2,6-3)19-12-10-13-20-14-16-21(22)17-15-20;7-10(8,9)6-4-2-1-3-5-6/h14-17H,4-13,18-19H2,1-3H3;1-5H,(H,7,8,9)/q+1;/p-1