2-[4-[4-nitro-3-(phenethylamino)phenyl]piperazin-1-ium-1-yl]ethanol

Systemtic Name: 2-[4-[4-nitro-3-(phenethylamino)phenyl]piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-[4-nitro-3-(phenethylamino)phenyl]piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-[4-nitro-3-(phenethylamino)phenyl]-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-[4-nitro-3-(phenethylamino)phenyl]piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-[4-nitro-3-(phenethylamino)phenyl]piperazin-1-ium-1-yl]ethanol Formula: C20H27N4O3+ MolecularWeight: 371.45338

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C2=CC(=C(C=C2)[N+](=O)[O-])NCCC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCO)C2=CC(=C(C=C2)[N+](=O)[O-])NCCC3=CC=CC=C3

InChI

InChI=1S/C20H26N4O3/c25-15-14-22-10-12-23(13-11-22)18-6-7-20(24(26)27)19(16-18)21-9-8-17-4-2-1-3-5-17/h1-7,16,21,25H,8-15H2/p+1