2-(3-butyl-2-butylimino-4-oxidanylidene-1,3-thiazolidin-5-yl)ethanoate; (phenylmethyl)azanium

Systemtic Name: 2-(3-butyl-2-butylimino-4-oxidanylidene-1,3-thiazolidin-5-yl)ethanoate; (phenylmethyl)azanium Openeye Name: benzylammonium; 2-(3-butyl-2-butylimino-4-oxo-thiazolidin-5-yl)acetate CAS Name: 2-(3-butyl-2-butylimino-4-oxo-5-thiazolidinyl)acetate; (phenylmethyl)ammonium IUPAC Name: benzylazanium; 2-(3-butyl-2-butylimino-4-oxo-1,3-thiazolidin-5-yl)acetate Traditional Name: benzylammonium; 2-(3-butyl-2-butylimino-4-keto-thiazolidin-5-yl)acetate Formula: C20H31N3O3S MolecularWeight: 393.54344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN=C1N(C(=O)C(S1)CC(=O)[O-])CCCC.C1=CC=C(C=C1)C[NH3+]

Isomeric SMILES

CCCCN=C1N(C(=O)C(S1)CC(=O)[O-])CCCC.C1=CC=C(C=C1)C[NH3+]

InChI

InChI=1S/C13H22N2O3S.C7H9N/c1-3-5-7-14-13-15(8-6-4-2)12(18)10(19-13)9-11(16)17;8-6-7-4-2-1-3-5-7/h10H,3-9H2,1-2H3,(H,16,17);1-5H,6,8H2