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

Systemtic Name: 2-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-4-nitro-phenyl]piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-4-nitro-phenyl]piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-4-nitrophenyl]-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-4-nitrophenyl]piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-[3-(homoveratrylamino)-4-nitro-phenyl]piperazin-1-ium-1-yl]ethanol Formula: C22H31N4O5+ MolecularWeight: 431.50534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=C(C=CC(=C2)N3CC[NH+](CC3)CCO)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=C(C=CC(=C2)N3CC[NH+](CC3)CCO)[N+](=O)[O-])OC

InChI

InChI=1S/C22H30N4O5/c1-30-21-6-3-17(15-22(21)31-2)7-8-23-19-16-18(4-5-20(19)26(28)29)25-11-9-24(10-12-25)13-14-27/h3-6,15-16,23,27H,7-14H2,1-2H3/p+1