[2-[[5-(butanoylamino)-2-chloranyl-phenyl]amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: [2-[[5-(butanoylamino)-2-chloranyl-phenyl]amino]-2-oxidanylidene-ethyl]azanium Openeye Name: [2-[5-(butanoylamino)-2-chloro-anilino]-2-oxo-ethyl]ammonium CAS Name: [2-[2-chloro-5-(1-oxobutylamino)anilino]-2-oxoethyl]ammonium IUPAC Name: [2-[5-(butanoylamino)-2-chloroanilino]-2-oxoethyl]azanium Traditional Name: [2-(5-butyramido-2-chloro-anilino)-2-keto-ethyl]ammonium Formula: C12H17ClN3O2+ MolecularWeight: 270.73528

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C[NH3+]

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C[NH3+]

InChI

InChI=1S/C12H16ClN3O2/c1-2-3-11(17)15-8-4-5-9(13)10(6-8)16-12(18)7-14/h4-6H,2-3,7,14H2,1H3,(H,15,17)(H,16,18)/p+1