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

Systemtic Name: heptyl-dimethyl-(3-phenylpropyl)azanium; 4-methylbenzenesulfonate Openeye Name: heptyl-dimethyl-(3-phenylpropyl)ammonium; 4-methylbenzenesulfonate CAS Name: heptyl-dimethyl-(3-phenylpropyl)ammonium; 4-methylbenzenesulfonate IUPAC Name: heptyl-dimethyl-(3-phenylpropyl)azanium; 4-methylbenzenesulfonate Traditional Name: heptyl-dimethyl-(3-phenylpropyl)ammonium tosylate Formula: C25H39NO3S MolecularWeight: 433.64706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H32N.C7H8O3S/c1-4-5-6-7-11-16-19(2,3)17-12-15-18-13-9-8-10-14-18;1-6-2-4-7(5-3-6)11(8,9)10/h8-10,13-14H,4-7,11-12,15-17H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1