[4-[[2-(2-chloranylethanoylamino)phenyl]amino]-4-oxidanylidene-butyl]azanium

Systemtic Name: [4-[[2-(2-chloranylethanoylamino)phenyl]amino]-4-oxidanylidene-butyl]azanium Openeye Name: [4-[2-[(2-chloroacetyl)amino]anilino]-4-oxo-butyl]ammonium CAS Name: [4-[2-[(2-chloro-1-oxoethyl)amino]anilino]-4-oxobutyl]ammonium IUPAC Name: [4-[2-[(2-chloroacetyl)amino]anilino]-4-oxobutyl]azanium Traditional Name: [4-[2-[(2-chloroacetyl)amino]anilino]-4-keto-butyl]ammonium Formula: C12H17ClN3O2+ MolecularWeight: 270.73528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CCC[NH3+])NC(=O)CCl

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CCC[NH3+])NC(=O)CCl

InChI

InChI=1S/C12H16ClN3O2/c13-8-12(18)16-10-5-2-1-4-9(10)15-11(17)6-3-7-14/h1-2,4-5H,3,6-8,14H2,(H,15,17)(H,16,18)/p+1