5-[bis(2-chloroethyl)amino]-N-(2-morpholin-4-ium-4-ylethyl)-2,4-dinitro-benzamide

Systemtic Name: 5-[bis(2-chloroethyl)amino]-N-(2-morpholin-4-ium-4-ylethyl)-2,4-dinitro-benzamide Openeye Name: 5-[bis(2-chloroethyl)amino]-N-(2-morpholin-4-ium-4-ylethyl)-2,4-dinitro-benzamide CAS Name: 5-[bis(2-chloroethyl)amino]-N-[2-(4-morpholin-4-iumyl)ethyl]-2,4-dinitrobenzamide IUPAC Name: 5-[bis(2-chloroethyl)amino]-N-(2-morpholin-4-ium-4-ylethyl)-2,4-dinitrobenzamide Traditional Name: 5-[bis(2-chloroethyl)amino]-N-(2-morpholin-4-ium-4-ylethyl)-2,4-dinitro-benzamide Formula: C17H24Cl2N5O6+ MolecularWeight: 465.30836

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=O)C2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])N(CCCl)CCCl

Isomeric SMILES

C1COCC[NH+]1CCNC(=O)C2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])N(CCCl)CCCl

InChI

InChI=1S/C17H23Cl2N5O6/c18-1-4-22(5-2-19)15-11-13(14(23(26)27)12-16(15)24(28)29)17(25)20-3-6-21-7-9-30-10-8-21/h11-12H,1-10H2,(H,20,25)/p+1