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

Systemtic Name: 2-[4-[3-[2-(3,4-dimethylphenoxy)ethylamino]-4-nitro-phenyl]piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-[3-[2-(3,4-dimethylphenoxy)ethylamino]-4-nitro-phenyl]piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-[3-[2-(3,4-dimethylphenoxy)ethylamino]-4-nitrophenyl]-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-[3-[2-(3,4-dimethylphenoxy)ethylamino]-4-nitrophenyl]piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-[3-[2-(3,4-dimethylphenoxy)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:

CC1=C(C=C(C=C1)OCCNC2=C(C=CC(=C2)N3CC[NH+](CC3)CCO)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)OCCNC2=C(C=CC(=C2)N3CC[NH+](CC3)CCO)[N+](=O)[O-])C

InChI

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