[4-cyano-1-(phenylmethyl)pyrrol-2-yl]azanium chloride

Systemtic Name: [4-cyano-1-(phenylmethyl)pyrrol-2-yl]azanium chloride Openeye Name: (1-benzyl-4-cyano-pyrrol-2-yl)ammonium chloride CAS Name: [4-cyano-1-(phenylmethyl)-2-pyrrolyl]ammonium chloride IUPAC Name: (1-benzyl-4-cyanopyrrol-2-yl)azanium chloride Traditional Name: (1-benzyl-4-cyano-pyrrol-2-yl)ammonium chloride Formula: C12H12ClN3 MolecularWeight: 233.69678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C=C2[NH3+])C#N.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C=C2[NH3+])C#N.[Cl-]

InChI

InChI=1S/C12H11N3.ClH/c13-7-11-6-12(14)15(9-11)8-10-4-2-1-3-5-10;/h1-6,9H,8,14H2;1H