diethyl-heptyl-[4-(4-methoxyphenyl)butyl]azanium; 4-methylbenzenesulfonate

Systemtic Name: diethyl-heptyl-[4-(4-methoxyphenyl)butyl]azanium; 4-methylbenzenesulfonate Openeye Name: diethyl-heptyl-[4-(4-methoxyphenyl)butyl]ammonium; 4-methylbenzenesulfonate CAS Name: diethyl-heptyl-[4-(4-methoxyphenyl)butyl]ammonium; 4-methylbenzenesulfonate IUPAC Name: diethyl-heptyl-[4-(4-methoxyphenyl)butyl]azanium; 4-methylbenzenesulfonate Traditional Name: diethyl-heptyl-[4-(4-methoxyphenyl)butyl]ammonium tosylate Formula: C29H47NO4S MolecularWeight: 505.75278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H40NO.C7H8O3S/c1-5-8-9-10-12-19-23(6-2,7-3)20-13-11-14-21-15-17-22(24-4)18-16-21;1-6-2-4-7(5-3-6)11(8,9)10/h15-18H,5-14,19-20H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1