[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl]-methyl-(phenylmethyl)azanium

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-[4-(cyanomethyl)anilino]-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]-methylazanium Traditional Name: benzyl-[2-[4-(cyanomethyl)anilino]-2-keto-ethyl]-methyl-ammonium Formula: C18H20N3O+ MolecularWeight: 294.3709

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC(=O)NC2=CC=C(C=C2)CC#N

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC(=O)NC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C18H19N3O/c1-21(13-16-5-3-2-4-6-16)14-18(22)20-17-9-7-15(8-10-17)11-12-19/h2-10H,11,13-14H2,1H3,(H,20,22)/p+1