2-methyl-3-oxidanylidene-3-[(phenylmethyl)amino]propane-1-sulfinate; (phenylmethyl)azanium

Systemtic Name: 2-methyl-3-oxidanylidene-3-[(phenylmethyl)amino]propane-1-sulfinate; (phenylmethyl)azanium Openeye Name: 3-(benzylamino)-2-methyl-3-oxo-propane-1-sulfinate; benzylammonium CAS Name: 2-methyl-3-oxo-3-[(phenylmethyl)amino]-1-propanesulfinate; (phenylmethyl)ammonium IUPAC Name: 3-(benzylamino)-2-methyl-3-oxopropane-1-sulfinate; benzylazanium Traditional Name: 3-(benzylamino)-3-keto-2-methyl-propane-1-sulfinate; benzylammonium Formula: C18H24N2O3S MolecularWeight: 348.45976

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS(=O)[O-])C(=O)NCC1=CC=CC=C1.C1=CC=C(C=C1)C[NH3+]

Isomeric SMILES

CC(CS(=O)[O-])C(=O)NCC1=CC=CC=C1.C1=CC=C(C=C1)C[NH3+]

InChI

InChI=1S/C11H15NO3S.C7H9N/c1-9(8-16(14)15)11(13)12-7-10-5-3-2-4-6-10;8-6-7-4-2-1-3-5-7/h2-6,9H,7-8H2,1H3,(H,12,13)(H,14,15);1-5H,6,8H2