4-azanylbenzoate; 3-(phenylmethylsulfanyl)propylazanium

Systemtic Name: 4-azanylbenzoate; 3-(phenylmethylsulfanyl)propylazanium Openeye Name: 4-aminobenzoate; 3-benzylsulfanylpropylammonium CAS Name: 4-aminobenzoate; 3-(phenylmethylthio)propylammonium IUPAC Name: 4-aminobenzoate; 3-benzylsulfanylpropylazanium Traditional Name: 4-aminobenzoate; 3-(benzylthio)propylammonium Formula: C17H22N2O2S MolecularWeight: 318.43378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCC[NH3+].C1=CC(=CC=C1C(=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)CSCCC[NH3+].C1=CC(=CC=C1C(=O)[O-])N

InChI

InChI=1S/C10H15NS.C7H7NO2/c11-7-4-8-12-9-10-5-2-1-3-6-10;8-6-3-1-5(2-4-6)7(9)10/h1-3,5-6H,4,7-9,11H2;1-4H,8H2,(H,9,10)