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

Systemtic Name: 2-[4-[4-nitro-3-(2-phenoxyethylamino)phenyl]piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-[4-nitro-3-(2-phenoxyethylamino)phenyl]piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-[4-nitro-3-(2-phenoxyethylamino)phenyl]-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-[4-nitro-3-(2-phenoxyethylamino)phenyl]piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-[4-nitro-3-(2-phenoxyethylamino)phenyl]piperazin-1-ium-1-yl]ethanol Formula: C20H27N4O4+ MolecularWeight: 387.45278

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C2=CC(=C(C=C2)[N+](=O)[O-])NCCOC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCO)C2=CC(=C(C=C2)[N+](=O)[O-])NCCOC3=CC=CC=C3

InChI

InChI=1S/C20H26N4O4/c25-14-13-22-9-11-23(12-10-22)17-6-7-20(24(26)27)19(16-17)21-8-15-28-18-4-2-1-3-5-18/h1-7,16,21,25H,8-15H2/p+1