(E)-[(phenylmethyl)amino]methylidene-prop-2-enyl-(prop-2-enylcarbamoyl)azanium chloride

Systemtic Name: (E)-[(phenylmethyl)amino]methylidene-prop-2-enyl-(prop-2-enylcarbamoyl)azanium chloride Openeye Name: (E)-allyl-(allylcarbamoyl)-[(benzylamino)methylene]ammonium chloride CAS Name: (E)-[oxo-(prop-2-enylamino)methyl]-[[(phenylmethyl)amino]methylidene]-prop-2-enylammonium chloride IUPAC Name: (E)-(benzylamino)methylidene-prop-2-enyl-(prop-2-enylcarbamoyl)azanium chloride Traditional Name: (E)-allyl-(allylcarbamoyl)-[(benzylamino)methylene]ammonium chloride Formula: C15H20ClN3O MolecularWeight: 293.7918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)[N+](=CNCC1=CC=CC=C1)CC=C.[Cl-]

Isomeric SMILES

C=CCNC(=O)/[N+](=C/NCC1=CC=CC=C1)/CC=C.[Cl-]

InChI

InChI=1S/C15H19N3O.ClH/c1-3-10-17-15(19)18(11-4-2)13-16-12-14-8-6-5-7-9-14;/h3-9,13H,1-2,10-12H2,(H,17,19);1H