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

Systemtic Name: [4-[(4-chloranyl-2,5-dimethoxy-phenyl)amino]-4-oxidanylidene-butyl]azanium Openeye Name: [4-(4-chloro-2,5-dimethoxy-anilino)-4-oxo-butyl]ammonium CAS Name: [4-(4-chloro-2,5-dimethoxyanilino)-4-oxobutyl]ammonium IUPAC Name: [4-(4-chloro-2,5-dimethoxyanilino)-4-oxobutyl]azanium Traditional Name: [4-(4-chloro-2,5-dimethoxy-anilino)-4-keto-butyl]ammonium Formula: C12H18ClN2O3+ MolecularWeight: 273.73592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)CCC[NH3+])OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)CCC[NH3+])OC)Cl

InChI

InChI=1S/C12H17ClN2O3/c1-17-10-7-9(11(18-2)6-8(10)13)15-12(16)4-3-5-14/h6-7H,3-5,14H2,1-2H3,(H,15,16)/p+1