3-azanylpropylazanium; 4-methylbenzenesulfonate

Systemtic Name: 3-azanylpropylazanium; 4-methylbenzenesulfonate Openeye Name: 3-aminopropylammonium; 4-methylbenzenesulfonate CAS Name: 3-aminopropylammonium; 4-methylbenzenesulfonate IUPAC Name: 3-aminopropylazanium; 4-methylbenzenesulfonate Traditional Name: 3-aminopropylammonium tosylate Formula: C10H18N2O3S MolecularWeight: 246.32652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C(C[NH3+])CN

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C(C[NH3+])CN

InChI

InChI=1S/C7H8O3S.C3H10N2/c1-6-2-4-7(5-3-6)11(8,9)10;4-2-1-3-5/h2-5H,1H3,(H,8,9,10);1-5H2