3-[(2-cyano-4-nitro-phenyl)amino]propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-[(2-cyano-4-nitro-phenyl)amino]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-(2-cyano-4-nitro-anilino)propyl]-methyl-ammonium CAS Name: 3-(2-cyano-4-nitroanilino)propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-(2-cyano-4-nitroanilino)propyl]-methylazanium Traditional Name: benzyl-[3-(2-cyano-4-nitro-anilino)propyl]-methyl-ammonium Formula: C18H21N4O2+ MolecularWeight: 325.38494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNC1=C(C=C(C=C1)[N+](=O)[O-])C#N)CC2=CC=CC=C2

Isomeric SMILES

C[NH+](CCCNC1=C(C=C(C=C1)[N+](=O)[O-])C#N)CC2=CC=CC=C2

InChI

InChI=1S/C18H20N4O2/c1-21(14-15-6-3-2-4-7-15)11-5-10-20-18-9-8-17(22(23)24)12-16(18)13-19/h2-4,6-9,12,20H,5,10-11,14H2,1H3/p+1