1-[[4-[3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propoxy]phenyl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[[4-[3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propoxy]phenyl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[[4-[3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propoxy]phenyl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[4-[3-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]propoxy]phenyl]methyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[[4-[3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propoxy]phenyl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[4-[3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propoxy]benzyl]piperidin-1-ium-4-carboxylate Formula: C26H35N4O5+ MolecularWeight: 483.5799

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)[O-])CC2=CC=C(C=C2)OCCC[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1C(=O)[O-])CC2=CC=C(C=C2)OCCC[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H34N4O5/c31-26(32)22-10-13-28(14-11-22)20-21-2-8-25(9-3-21)35-19-1-12-27-15-17-29(18-16-27)23-4-6-24(7-5-23)30(33)34/h2-9,22H,1,10-20H2,(H,31,32)/p+1