[2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-5-nitro-phenyl]-morpholin-4-yl-methanone

Systemtic Name: [2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-5-nitro-phenyl]-morpholin-4-yl-methanone Openeye Name: [2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-5-nitro-phenyl]-morpholino-methanone CAS Name: [2-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-5-nitrophenyl]-(4-morpholinyl)methanone IUPAC Name: [2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-5-nitrophenyl]-morpholin-4-ylmethanone Traditional Name: [2-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-5-nitro-phenyl]-morpholino-methanone Formula: C17H25N4O5+ MolecularWeight: 365.4042

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N3CCOCC3

Isomeric SMILES

C1CN(CC[NH+]1CCO)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N3CCOCC3

InChI

InChI=1S/C17H24N4O5/c22-10-7-18-3-5-19(6-4-18)16-2-1-14(21(24)25)13-15(16)17(23)20-8-11-26-12-9-20/h1-2,13,22H,3-12H2/p+1