[4-[[4-chloranyl-3-(2-chloranylethanoylamino)phenyl]amino]-4-oxidanylidene-butyl]azanium

Systemtic Name: [4-[[4-chloranyl-3-(2-chloranylethanoylamino)phenyl]amino]-4-oxidanylidene-butyl]azanium Openeye Name: [4-[4-chloro-3-[(2-chloroacetyl)amino]anilino]-4-oxo-butyl]ammonium CAS Name: [4-[4-chloro-3-[(2-chloro-1-oxoethyl)amino]anilino]-4-oxobutyl]ammonium IUPAC Name: [4-[4-chloro-3-[(2-chloroacetyl)amino]anilino]-4-oxobutyl]azanium Traditional Name: [4-[4-chloro-3-[(2-chloroacetyl)amino]anilino]-4-keto-butyl]ammonium Formula: C12H16Cl2N3O2+ MolecularWeight: 305.18034

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CCC[NH3+])NC(=O)CCl)Cl

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CCC[NH3+])NC(=O)CCl)Cl

InChI

InChI=1S/C12H15Cl2N3O2/c13-7-12(19)17-10-6-8(3-4-9(10)14)16-11(18)2-1-5-15/h3-4,6H,1-2,5,7,15H2,(H,16,18)(H,17,19)/p+1