[(2S)-1-[(2-cyanophenyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]azanium

Systemtic Name: [(2S)-1-[(2-cyanophenyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1S)-1-[(2-cyanophenyl)carbamoyl]-3-methyl-butyl]ammonium CAS Name: [(2S)-1-(2-cyanoanilino)-4-methyl-1-oxopentan-2-yl]ammonium IUPAC Name: [(2S)-1-(2-cyanoanilino)-4-methyl-1-oxopentan-2-yl]azanium Traditional Name: [(1S)-1-[(2-cyanophenyl)carbamoyl]-3-methyl-butyl]ammonium Formula: C13H18N3O+ MolecularWeight: 232.30152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1=CC=CC=C1C#N)[NH3+]

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC1=CC=CC=C1C#N)[NH3+]

InChI

InChI=1S/C13H17N3O/c1-9(2)7-11(15)13(17)16-12-6-4-3-5-10(12)8-14/h3-6,9,11H,7,15H2,1-2H3,(H,16,17)/p+1/t11-/m0/s1