2-[4-(2-morpholin-4-ium-4-ylethanoyl)piperazin-1-ium-1-yl]-N-(3-nitrophenyl)ethanamide

Systemtic Name: 2-[4-(2-morpholin-4-ium-4-ylethanoyl)piperazin-1-ium-1-yl]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[4-(2-morpholin-4-ium-4-ylacetyl)piperazin-1-ium-1-yl]-N-(3-nitrophenyl)acetamide CAS Name: 2-[4-[2-(4-morpholin-4-iumyl)-1-oxoethyl]-1-piperazin-1-iumyl]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[4-(2-morpholin-4-ium-4-ylacetyl)piperazin-1-ium-1-yl]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[4-(2-morpholin-4-ium-4-ylacetyl)piperazin-1-ium-1-yl]-N-(3-nitrophenyl)acetamide Formula: C18H27N5O5+2 MolecularWeight: 393.43748

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)C[NH+]3CCOCC3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)C[NH+]3CCOCC3

InChI

InChI=1S/C18H25N5O5/c24-17(19-15-2-1-3-16(12-15)23(26)27)13-20-4-6-22(7-5-20)18(25)14-21-8-10-28-11-9-21/h1-3,12H,4-11,13-14H2,(H,19,24)/p+2