3-(2-cyanoethanoylamino)propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-(2-cyanoethanoylamino)propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[(2-cyanoacetyl)amino]propyl]-methyl-ammonium CAS Name: 3-[(2-cyano-1-oxoethyl)amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[(2-cyanoacetyl)amino]propyl]-methylazanium Traditional Name: benzyl-[3-[(2-cyanoacetyl)amino]propyl]-methyl-ammonium Formula: C14H20N3O+ MolecularWeight: 246.3281

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNC(=O)CC#N)CC1=CC=CC=C1

Isomeric SMILES

C[NH+](CCCNC(=O)CC#N)CC1=CC=CC=C1

InChI

InChI=1S/C14H19N3O/c1-17(12-13-6-3-2-4-7-13)11-5-10-16-14(18)8-9-15/h2-4,6-7H,5,8,10-12H2,1H3,(H,16,18)/p+1