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

Systemtic Name: [4-[[2-(2-chloranylethanoylamino)-4,5-dimethoxy-phenyl]amino]-4-oxidanylidene-butyl]azanium Openeye Name: [4-[2-[(2-chloroacetyl)amino]-4,5-dimethoxy-anilino]-4-oxo-butyl]ammonium CAS Name: [4-[2-[(2-chloro-1-oxoethyl)amino]-4,5-dimethoxyanilino]-4-oxobutyl]ammonium IUPAC Name: [4-[2-[(2-chloroacetyl)amino]-4,5-dimethoxyanilino]-4-oxobutyl]azanium Traditional Name: [4-[2-[(2-chloroacetyl)amino]-4,5-dimethoxy-anilino]-4-keto-butyl]ammonium Formula: C14H21ClN3O4+ MolecularWeight: 330.78724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)NC(=O)CCC[NH3+])NC(=O)CCl)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)NC(=O)CCC[NH3+])NC(=O)CCl)OC

InChI

InChI=1S/C14H20ClN3O4/c1-21-11-6-9(17-13(19)4-3-5-16)10(7-12(11)22-2)18-14(20)8-15/h6-7H,3-5,8,16H2,1-2H3,(H,17,19)(H,18,20)/p+1