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

Systemtic Name: [(2S)-2-cyanopropyl]-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-propyl-azanium Openeye Name: [(2S)-2-cyanopropyl]-[2-(2-methylanilino)-2-oxo-ethyl]-propyl-ammonium CAS Name: [(2S)-2-cyanopropyl]-[2-(2-methylanilino)-2-oxoethyl]-propylammonium IUPAC Name: [(2S)-2-cyanopropyl]-[2-(2-methylanilino)-2-oxoethyl]-propylazanium Traditional Name: [(2S)-2-cyanopropyl]-[2-keto-2-(o-toluidino)ethyl]-propyl-ammonium Formula: C16H24N3O+ MolecularWeight: 274.38126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O/c1-4-9-19(11-13(2)10-17)12-16(20)18-15-8-6-5-7-14(15)3/h5-8,13H,4,9,11-12H2,1-3H3,(H,18,20)/p+1/t13-/m1/s1