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

Systemtic Name: [4-[[3-chloranyl-4-(2-chloranylethanoylamino)phenyl]amino]-4-oxidanylidene-butyl]azanium Openeye Name: [4-[3-chloro-4-[(2-chloroacetyl)amino]anilino]-4-oxo-butyl]ammonium CAS Name: [4-[3-chloro-4-[(2-chloro-1-oxoethyl)amino]anilino]-4-oxobutyl]ammonium IUPAC Name: [4-[3-chloro-4-[(2-chloroacetyl)amino]anilino]-4-oxobutyl]azanium Traditional Name: [4-[3-chloro-4-[(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+])Cl)NC(=O)CCl

Isomeric SMILES

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

InChI

InChI=1S/C12H15Cl2N3O2/c13-7-12(19)17-10-4-3-8(6-9(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