2-[4-[1-[(3-nitrophenyl)methyl]piperidin-1-ium-4-yl]piperazin-4-ium-1-yl]ethanol

Systemtic Name: 2-[4-[1-[(3-nitrophenyl)methyl]piperidin-1-ium-4-yl]piperazin-4-ium-1-yl]ethanol Openeye Name: 2-[4-[1-[(3-nitrophenyl)methyl]piperidin-1-ium-4-yl]piperazin-4-ium-1-yl]ethanol CAS Name: 2-[4-[1-[(3-nitrophenyl)methyl]-4-piperidin-1-iumyl]-1-piperazin-4-iumyl]ethanol IUPAC Name: 2-[4-[1-[(3-nitrophenyl)methyl]piperidin-1-ium-4-yl]piperazin-4-ium-1-yl]ethanol Traditional Name: 2-[4-[1-(3-nitrobenzyl)piperidin-1-ium-4-yl]piperazin-4-ium-1-yl]ethanol Formula: C18H30N4O3+2 MolecularWeight: 350.4558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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