[(2S)-1-[(4-azanyl-2-chloranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-(2-cyanoethyl)-methyl-azanium

Systemtic Name: [(2S)-1-[(4-azanyl-2-chloranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-(2-cyanoethyl)-methyl-azanium Openeye Name: [(1S)-2-(4-amino-2-chloro-anilino)-1-methyl-2-oxo-ethyl]-(2-cyanoethyl)-methyl-ammonium CAS Name: [(2S)-1-(4-amino-2-chloroanilino)-1-oxopropan-2-yl]-(2-cyanoethyl)-methylammonium IUPAC Name: [(2S)-1-(4-amino-2-chloroanilino)-1-oxopropan-2-yl]-(2-cyanoethyl)-methylazanium Traditional Name: [(1S)-2-(4-amino-2-chloro-anilino)-2-keto-1-methyl-ethyl]-(2-cyanoethyl)-methyl-ammonium Formula: C13H18ClN4O+ MolecularWeight: 281.76122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)N)Cl)[NH+](C)CCC#N

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=C(C=C1)N)Cl)[NH+](C)CCC#N

InChI

InChI=1S/C13H17ClN4O/c1-9(18(2)7-3-6-15)13(19)17-12-5-4-10(16)8-11(12)14/h4-5,8-9H,3,7,16H2,1-2H3,(H,17,19)/p+1/t9-/m0/s1