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

Systemtic Name: 2-[4-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-4-nitro-phenyl]piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-4-nitro-phenyl]piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-[3-[4-(4-methoxyphenyl)-1-piperazinyl]-4-nitrophenyl]-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-4-nitrophenyl]piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-[3-[4-(4-methoxyphenyl)piperazino]-4-nitro-phenyl]piperazin-1-ium-1-yl]ethanol Formula: C23H32N5O4+ MolecularWeight: 442.53128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C=CC(=C3)N4CC[NH+](CC4)CCO)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C=CC(=C3)N4CC[NH+](CC4)CCO)[N+](=O)[O-]

InChI

InChI=1S/C23H31N5O4/c1-32-21-5-2-19(3-6-21)25-12-14-27(15-13-25)23-18-20(4-7-22(23)28(30)31)26-10-8-24(9-11-26)16-17-29/h2-7,18,29H,8-17H2,1H3/p+1