diethyl-heptyl-(3-phenylpropyl)azanium; 4-methylbenzenesulfonate

Systemtic Name: diethyl-heptyl-(3-phenylpropyl)azanium; 4-methylbenzenesulfonate Openeye Name: diethyl-heptyl-(3-phenylpropyl)ammonium; 4-methylbenzenesulfonate CAS Name: diethyl-heptyl-(3-phenylpropyl)ammonium; 4-methylbenzenesulfonate IUPAC Name: diethyl-heptyl-(3-phenylpropyl)azanium; 4-methylbenzenesulfonate Traditional Name: diethyl-heptyl-(3-phenylpropyl)ammonium tosylate Formula: C27H43NO3S MolecularWeight: 461.70022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+](CC)(CC)CCCC1=CC=CC=C1.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCC[N+](CC)(CC)CCCC1=CC=CC=C1.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C20H36N.C7H8O3S/c1-4-7-8-9-13-18-21(5-2,6-3)19-14-17-20-15-11-10-12-16-20;1-6-2-4-7(5-3-6)11(8,9)10/h10-12,15-16H,4-9,13-14,17-19H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1