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

Systemtic Name: 2-(3-hexyl-4-oxidanylidene-2-phenylimino-1,3-thiazolidin-5-yl)ethanoate; (phenylmethyl)azanium Openeye Name: benzylammonium; 2-(3-hexyl-4-oxo-2-phenylimino-thiazolidin-5-yl)acetate CAS Name: 2-(3-hexyl-4-oxo-2-phenylimino-5-thiazolidinyl)acetate; (phenylmethyl)ammonium IUPAC Name: benzylazanium; 2-(3-hexyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetate Traditional Name: benzylammonium; 2-(3-hexyl-4-keto-2-phenylimino-thiazolidin-5-yl)acetate Formula: C24H31N3O3S MolecularWeight: 441.58624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C(SC1=NC2=CC=CC=C2)CC(=O)[O-].C1=CC=C(C=C1)C[NH3+]

Isomeric SMILES

CCCCCCN1C(=O)C(SC1=NC2=CC=CC=C2)CC(=O)[O-].C1=CC=C(C=C1)C[NH3+]

InChI

InChI=1S/C17H22N2O3S.C7H9N/c1-2-3-4-8-11-19-16(22)14(12-15(20)21)23-17(19)18-13-9-6-5-7-10-13;8-6-7-4-2-1-3-5-7/h5-7,9-10,14H,2-4,8,11-12H2,1H3,(H,20,21);1-5H,6,8H2