[4-[[5-(2-chloranylethanoylamino)-2-ethyl-phenyl]amino]-4-oxidanylidene-butyl]azanium

Systemtic Name: [4-[[5-(2-chloranylethanoylamino)-2-ethyl-phenyl]amino]-4-oxidanylidene-butyl]azanium Openeye Name: [4-[5-[(2-chloroacetyl)amino]-2-ethyl-anilino]-4-oxo-butyl]ammonium CAS Name: [4-[5-[(2-chloro-1-oxoethyl)amino]-2-ethylanilino]-4-oxobutyl]ammonium IUPAC Name: [4-[5-[(2-chloroacetyl)amino]-2-ethylanilino]-4-oxobutyl]azanium Traditional Name: [4-[5-[(2-chloroacetyl)amino]-2-ethyl-anilino]-4-keto-butyl]ammonium Formula: C14H21ClN3O2+ MolecularWeight: 298.78844

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)NC(=O)CCl)NC(=O)CCC[NH3+]

Isomeric SMILES

CCC1=C(C=C(C=C1)NC(=O)CCl)NC(=O)CCC[NH3+]

InChI

InChI=1S/C14H20ClN3O2/c1-2-10-5-6-11(17-14(20)9-15)8-12(10)18-13(19)4-3-7-16/h5-6,8H,2-4,7,9,16H2,1H3,(H,17,20)(H,18,19)/p+1