[2-[(2-azanyl-5-chloranyl-phenyl)amino]-2-oxidanylidene-ethyl]-(2-cyanoethyl)-methyl-azanium

Systemtic Name: [2-[(2-azanyl-5-chloranyl-phenyl)amino]-2-oxidanylidene-ethyl]-(2-cyanoethyl)-methyl-azanium Openeye Name: [2-(2-amino-5-chloro-anilino)-2-oxo-ethyl]-(2-cyanoethyl)-methyl-ammonium CAS Name: [2-(2-amino-5-chloroanilino)-2-oxoethyl]-(2-cyanoethyl)-methylammonium IUPAC Name: [2-(2-amino-5-chloroanilino)-2-oxoethyl]-(2-cyanoethyl)-methylazanium Traditional Name: [2-(2-amino-5-chloro-anilino)-2-keto-ethyl]-(2-cyanoethyl)-methyl-ammonium Formula: C12H16ClN4O+ MolecularWeight: 267.73464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15ClN4O/c1-17(6-2-5-14)8-12(18)16-11-7-9(13)3-4-10(11)15/h3-4,7H,2,6,8,15H2,1H3,(H,16,18)/p+1