[(2S)-2-cyanopropyl]-methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: [(2S)-2-cyanopropyl]-methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: [(2S)-2-cyanopropyl]-methyl-[2-(4-methylanilino)-2-oxo-ethyl]ammonium CAS Name: [(2S)-2-cyanopropyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]ammonium IUPAC Name: [(2S)-2-cyanopropyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium Traditional Name: [(2S)-2-cyanopropyl]-[2-keto-2-(p-toluidino)ethyl]-methyl-ammonium Formula: C14H20N3O+ MolecularWeight: 246.3281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+](C)C[C@H](C)C#N

InChI

InChI=1S/C14H19N3O/c1-11-4-6-13(7-5-11)16-14(18)10-17(3)9-12(2)8-15/h4-7,12H,9-10H2,1-3H3,(H,16,18)/p+1/t12-/m1/s1