2-[4-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]piperazine-1,4-diium-1-yl]ethanol

Systemtic Name: 2-[4-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]piperazine-1,4-diium-1-yl]ethanol Openeye Name: 2-[4-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]piperazine-1,4-diium-1-yl]ethanol CAS Name: 2-[4-[1-(3-pyridinylmethyl)-4-piperidin-1-iumyl]-1-piperazine-1,4-diiumyl]ethanol IUPAC Name: 2-[4-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]piperazine-1,4-diium-1-yl]ethanol Traditional Name: 2-[4-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]piperazine-1,4-diium-1-yl]ethanol Formula: C17H31N4O+3 MolecularWeight: 307.45424

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH+]2CC[NH+](CC2)CCO)CC3=CN=CC=C3

Isomeric SMILES

C1C[NH+](CCC1[NH+]2CC[NH+](CC2)CCO)CC3=CN=CC=C3

InChI

InChI=1S/C17H28N4O/c22-13-12-19-8-10-21(11-9-19)17-3-6-20(7-4-17)15-16-2-1-5-18-14-16/h1-2,5,14,17,22H,3-4,6-13,15H2/p+3