[2-[(3-aminophenyl)amino]-2-oxidanylidene-ethyl]-cyclohexyl-sulfo-azanium chloride

Systemtic Name: [2-[(3-aminophenyl)amino]-2-oxidanylidene-ethyl]-cyclohexyl-sulfo-azanium chloride Openeye Name: [2-(3-aminoanilino)-2-oxo-ethyl]-cyclohexyl-sulfo-ammonium chloride CAS Name: [2-(3-aminoanilino)-2-oxoethyl]-cyclohexyl-sulfoammonium chloride IUPAC Name: [2-(3-aminoanilino)-2-oxoethyl]-cyclohexyl-sulfoazanium chloride Traditional Name: [2-(3-aminoanilino)-2-keto-ethyl]-cyclohexyl-sulfo-ammonium chloride Formula: C14H22ClN3O4S MolecularWeight: 363.86018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+](CC(=O)NC2=CC=CC(=C2)N)S(=O)(=O)O.[Cl-]

Isomeric SMILES

C1CCC(CC1)[NH+](CC(=O)NC2=CC=CC(=C2)N)S(=O)(=O)O.[Cl-]

InChI

InChI=1S/C14H21N3O4S.ClH/c15-11-5-4-6-12(9-11)16-14(18)10-17(22(19,20)21)13-7-2-1-3-8-13;/h4-6,9,13H,1-3,7-8,10,15H2,(H,16,18)(H,19,20,21);1H