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

Systemtic Name: 2-[4-[3-(2-naphthalen-1-yloxyethylamino)-4-nitro-phenyl]piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-[3-[2-(1-naphthyloxy)ethylamino]-4-nitro-phenyl]piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-[3-[2-(1-naphthalenyloxy)ethylamino]-4-nitrophenyl]-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-[3-(2-naphthalen-1-yloxyethylamino)-4-nitrophenyl]piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-[3-[2-(1-naphthoxy)ethylamino]-4-nitro-phenyl]piperazin-1-ium-1-yl]ethanol Formula: C24H29N4O4+ MolecularWeight: 437.51146

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C2=CC(=C(C=C2)[N+](=O)[O-])NCCOC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CN(CC[NH+]1CCO)C2=CC(=C(C=C2)[N+](=O)[O-])NCCOC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C24H28N4O4/c29-16-15-26-11-13-27(14-12-26)20-8-9-23(28(30)31)22(18-20)25-10-17-32-24-7-3-5-19-4-1-2-6-21(19)24/h1-9,18,25,29H,10-17H2/p+1