benzenesulfonate; ethyl-[5-(3-iodanylphenyl)pentan-2-yl]-dipentyl-azanium

Systemtic Name: benzenesulfonate; ethyl-[5-(3-iodanylphenyl)pentan-2-yl]-dipentyl-azanium Openeye Name: benzenesulfonate; ethyl-[4-(3-iodophenyl)-1-methyl-butyl]-dipentyl-ammonium CAS Name: benzenesulfonate; ethyl-[5-(3-iodophenyl)pentan-2-yl]-dipentylammonium IUPAC Name: benzenesulfonate; ethyl-[5-(3-iodophenyl)pentan-2-yl]-dipentylazanium Traditional Name: diamyl-ethyl-[4-(3-iodophenyl)-1-methyl-butyl]ammonium besylate Formula: C29H46INO3S MolecularWeight: 615.64991

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[N+](CC)(CCCCC)C(C)CCCC1=CC(=CC=C1)I.C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCC[N+](CC)(CCCCC)C(C)CCCC1=CC(=CC=C1)I.C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C23H41IN.C6H6O3S/c1-5-8-10-18-25(7-3,19-11-9-6-2)21(4)14-12-15-22-16-13-17-23(24)20-22;7-10(8,9)6-4-2-1-3-5-6/h13,16-17,20-21H,5-12,14-15,18-19H2,1-4H3;1-5H,(H,7,8,9)/q+1;/p-1