4-[[methyl(3-methylchloranuidylpropyl)amino]methyl]benzenesulfonic acid

Systemtic Name: 4-[[methyl(3-methylchloranuidylpropyl)amino]methyl]benzenesulfonic acid Openeye Name: 4-[[methyl(3-methylchloranuidylpropyl)amino]methyl]benzenesulfonic acid CAS Name: 4-[[methyl(3-methylchloranuidylpropyl)amino]methyl]benzenesulfonic acid IUPAC Name: 4-[[methyl(3-methylchloranuidylpropyl)amino]methyl]benzenesulfonic acid Traditional Name: 4-[[methyl(3-methylchloranuidylpropyl)amino]methyl]besylic acid Formula: C12H19ClNO3S- MolecularWeight: 292.80216

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC[Cl-]C)CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CN(CCC[Cl-]C)CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C12H19ClNO3S/c1-13-8-3-9-14(2)10-11-4-6-12(7-5-11)18(15,16)17/h4-7H,3,8-10H2,1-2H3,(H,15,16,17)/q-1