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

Systemtic Name: 2-[4-[3-[2-(4-ethylphenoxy)ethylamino]-4-nitro-phenyl]piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-[3-[2-(4-ethylphenoxy)ethylamino]-4-nitro-phenyl]piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-[3-[2-(4-ethylphenoxy)ethylamino]-4-nitrophenyl]-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-[3-[2-(4-ethylphenoxy)ethylamino]-4-nitrophenyl]piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-[3-[2-(4-ethylphenoxy)ethylamino]-4-nitro-phenyl]piperazin-1-ium-1-yl]ethanol Formula: C22H31N4O4+ MolecularWeight: 415.50594

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCCNC2=C(C=CC(=C2)N3CC[NH+](CC3)CCO)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)OCCNC2=C(C=CC(=C2)N3CC[NH+](CC3)CCO)[N+](=O)[O-]

InChI

InChI=1S/C22H30N4O4/c1-2-18-3-6-20(7-4-18)30-16-9-23-21-17-19(5-8-22(21)26(28)29)25-12-10-24(11-13-25)14-15-27/h3-8,17,23,27H,2,9-16H2,1H3/p+1