3-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-N-(2-methoxy-5-nitro-phenyl)propanamide

Systemtic Name: 3-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-N-(2-methoxy-5-nitro-phenyl)propanamide Openeye Name: 3-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: 3-[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]-N-(2-methoxy-5-nitrophenyl)propanamide IUPAC Name: 3-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-N-(2-methoxy-5-nitrophenyl)propanamide Traditional Name: 3-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C16H25N4O5+ MolecularWeight: 353.3935

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CC[NH+]2CCN(CC2)CCO

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CC[NH+]2CCN(CC2)CCO

InChI

InChI=1S/C16H24N4O5/c1-25-15-3-2-13(20(23)24)12-14(15)17-16(22)4-5-18-6-8-19(9-7-18)10-11-21/h2-3,12,21H,4-11H2,1H3,(H,17,22)/p+1