2-[[5-[bis(2-chloroethyl)amino]-2,4-dinitro-phenyl]carbonylamino]ethyl-dimethyl-oxidanyl-azanium

Systemtic Name: 2-[[5-[bis(2-chloroethyl)amino]-2,4-dinitro-phenyl]carbonylamino]ethyl-dimethyl-oxidanyl-azanium Openeye Name: 2-[[5-[bis(2-chloroethyl)amino]-2,4-dinitro-benzoyl]amino]ethyl-hydroxy-dimethyl-ammonium CAS Name: 2-[[[5-[bis(2-chloroethyl)amino]-2,4-dinitrophenyl]-oxomethyl]amino]ethyl-hydroxy-dimethylammonium IUPAC Name: 2-[[5-[bis(2-chloroethyl)amino]-2,4-dinitrobenzoyl]amino]ethyl-hydroxy-dimethylazanium Traditional Name: 2-[[5-[bis(2-chloroethyl)amino]-2,4-dinitro-benzoyl]amino]ethyl-hydroxy-dimethyl-ammonium Formula: C15H22Cl2N5O6+ MolecularWeight: 439.27108

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCNC(=O)C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N(CCCl)CCCl)O

Isomeric SMILES

C[N+](C)(CCNC(=O)C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N(CCCl)CCCl)O

InChI

InChI=1S/C15H21Cl2N5O6/c1-22(2,28)8-5-18-15(23)11-9-13(19(6-3-16)7-4-17)14(21(26)27)10-12(11)20(24)25/h9-10,28H,3-8H2,1-2H3/p+1