azanyl-(phenylmethyl)-propyl-azanium; 4-methylbenzenesulfonate

Systemtic Name: azanyl-(phenylmethyl)-propyl-azanium; 4-methylbenzenesulfonate Openeye Name: amino-benzyl-propyl-ammonium; 4-methylbenzenesulfonate CAS Name: amino-(phenylmethyl)-propylammonium; 4-methylbenzenesulfonate IUPAC Name: amino-benzyl-propylazanium; 4-methylbenzenesulfonate Traditional Name: amino-benzyl-propyl-ammonium tosylate Formula: C17H24N2O3S MolecularWeight: 336.44906

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CC1=CC=CC=C1)N.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCC[NH+](CC1=CC=CC=C1)N.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C10H16N2.C7H8O3S/c1-2-8-12(11)9-10-6-4-3-5-7-10;1-6-2-4-7(5-3-6)11(8,9)10/h3-7H,2,8-9,11H2,1H3;2-5H,1H3,(H,8,9,10)