[(2S)-1-[(3-azanyl-2-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-(2-cyanoethyl)-methyl-azanium

Systemtic Name: [(2S)-1-[(3-azanyl-2-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-(2-cyanoethyl)-methyl-azanium Openeye Name: [(1S)-2-(3-amino-2-methyl-anilino)-1-methyl-2-oxo-ethyl]-(2-cyanoethyl)-methyl-ammonium CAS Name: [(2S)-1-(3-amino-2-methylanilino)-1-oxopropan-2-yl]-(2-cyanoethyl)-methylammonium IUPAC Name: [(2S)-1-(3-amino-2-methylanilino)-1-oxopropan-2-yl]-(2-cyanoethyl)-methylazanium Traditional Name: [(1S)-2-(3-amino-2-methyl-anilino)-2-keto-1-methyl-ethyl]-(2-cyanoethyl)-methyl-ammonium Formula: C14H21N4O+ MolecularWeight: 261.34274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C(C)[NH+](C)CCC#N)N

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)[C@H](C)[NH+](C)CCC#N)N

InChI

InChI=1S/C14H20N4O/c1-10-12(16)6-4-7-13(10)17-14(19)11(2)18(3)9-5-8-15/h4,6-7,11H,5,9,16H2,1-3H3,(H,17,19)/p+1/t11-/m0/s1