[2-cyano-3-[methyl-(phenylmethyl)azaniumyl]-2-phenyl-propyl]-methyl-(phenylmethyl)azanium

Systemtic Name: [2-cyano-3-[methyl-(phenylmethyl)azaniumyl]-2-phenyl-propyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[benzyl(methyl)ammonio]-2-cyano-2-phenyl-propyl]-methyl-ammonium CAS Name: [2-cyano-3-[methyl-(phenylmethyl)ammonio]-2-phenylpropyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[benzyl(methyl)azaniumyl]-2-cyano-2-phenylpropyl]-methylazanium Traditional Name: benzyl-[3-[benzyl(methyl)ammonio]-2-cyano-2-phenyl-propyl]-methyl-ammonium Formula: C26H31N3+2 MolecularWeight: 385.54444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC(C[NH+](C)CC2=CC=CC=C2)(C#N)C3=CC=CC=C3

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC(C[NH+](C)CC2=CC=CC=C2)(C#N)C3=CC=CC=C3

InChI

InChI=1S/C26H29N3/c1-28(18-23-12-6-3-7-13-23)21-26(20-27,25-16-10-5-11-17-25)22-29(2)19-24-14-8-4-9-15-24/h3-17H,18-19,21-22H2,1-2H3/p+2