2-chloranyl-N-(2-morpholin-4-ium-4-ylethyl)-5-nitro-benzamide

Systemtic Name: 2-chloranyl-N-(2-morpholin-4-ium-4-ylethyl)-5-nitro-benzamide Openeye Name: 2-chloro-N-(2-morpholin-4-ium-4-ylethyl)-5-nitro-benzamide CAS Name: 2-chloro-N-[2-(4-morpholin-4-iumyl)ethyl]-5-nitrobenzamide IUPAC Name: 2-chloro-N-(2-morpholin-4-ium-4-ylethyl)-5-nitrobenzamide Traditional Name: 2-chloro-N-(2-morpholin-4-ium-4-ylethyl)-5-nitro-benzamide Formula: C13H17ClN3O4+ MolecularWeight: 314.74478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClN3O4/c14-12-2-1-10(17(19)20)9-11(12)13(18)15-3-4-16-5-7-21-8-6-16/h1-2,9H,3-8H2,(H,15,18)/p+1