2-[4-[1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium-1-yl]ethanol

Systemtic Name: 2-[4-[1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium-1-yl]ethanol Openeye Name: 2-[4-[1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium-1-yl]ethanol CAS Name: 2-[4-[1-[(4-nitrophenyl)methyl]-4-piperidin-1-iumyl]-1-piperazine-1,4-diiumyl]ethanol IUPAC Name: 2-[4-[1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium-1-yl]ethanol Traditional Name: 2-[4-[1-(4-nitrobenzyl)piperidin-1-ium-4-yl]piperazine-1,4-diium-1-yl]ethanol Formula: C18H31N4O3+3 MolecularWeight: 351.46374

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH+]2CC[NH+](CC2)CCO)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1[NH+]2CC[NH+](CC2)CCO)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H28N4O3/c23-14-13-19-9-11-21(12-10-19)17-5-7-20(8-6-17)15-16-1-3-18(4-2-16)22(24)25/h1-4,17,23H,5-15H2/p+3