diethyl-[2-[(4-isothiocyanatophenyl)carbonylamino]ethyl]azanium chloride

Systemtic Name: diethyl-[2-[(4-isothiocyanatophenyl)carbonylamino]ethyl]azanium chloride Openeye Name: diethyl-[2-[(4-isothiocyanatobenzoyl)amino]ethyl]ammonium chloride CAS Name: diethyl-[2-[[(4-isothiocyanatophenyl)-oxomethyl]amino]ethyl]ammonium chloride IUPAC Name: diethyl-[2-[(4-isothiocyanatobenzoyl)amino]ethyl]azanium chloride Traditional Name: diethyl-[2-[(4-isothiocyanatobenzoyl)amino]ethyl]ammonium chloride Formula: C14H20ClN3OS MolecularWeight: 313.8461

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)C1=CC=C(C=C1)N=C=S.[Cl-]

Isomeric SMILES

CC[NH+](CC)CCNC(=O)C1=CC=C(C=C1)N=C=S.[Cl-]

InChI

InChI=1S/C14H19N3OS.ClH/c1-3-17(4-2)10-9-15-14(18)12-5-7-13(8-6-12)16-11-19;/h5-8H,3-4,9-10H2,1-2H3,(H,15,18);1H