[(2R)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-(phenylmethyl)azanium

Systemtic Name: [(2R)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(1R)-2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: [(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl]-methylazanium Traditional Name: benzyl-[(1R)-2-(2-cyanoanilino)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C18H20N3O+ MolecularWeight: 294.3709

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)[NH+](C)CC2=CC=CC=C2

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1C#N)[NH+](C)CC2=CC=CC=C2

InChI

InChI=1S/C18H19N3O/c1-14(21(2)13-15-8-4-3-5-9-15)18(22)20-17-11-7-6-10-16(17)12-19/h3-11,14H,13H2,1-2H3,(H,20,22)/p+1/t14-/m1/s1