2-[4-(2-nitro-5-pyrrolidin-1-yl-phenyl)piperazin-1-ium-1-yl]ethanol

Systemtic Name: 2-[4-(2-nitro-5-pyrrolidin-1-yl-phenyl)piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-(2-nitro-5-pyrrolidin-1-yl-phenyl)piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-[2-nitro-5-(1-pyrrolidinyl)phenyl]-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-(2-nitro-5-pyrrolidin-1-ylphenyl)piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-(2-nitro-5-pyrrolidino-phenyl)piperazin-1-ium-1-yl]ethanol Formula: C16H25N4O3+ MolecularWeight: 321.3947

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CC[NH+](CC3)CCO

Isomeric SMILES

C1CCN(C1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CC[NH+](CC3)CCO

InChI

InChI=1S/C16H24N4O3/c21-12-11-17-7-9-19(10-8-17)16-13-14(18-5-1-2-6-18)3-4-15(16)20(22)23/h3-4,13,21H,1-2,5-12H2/p+1