2-[4-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]piperazin-4-ium-1-yl]ethanol

Systemtic Name: 2-[4-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]piperazin-4-ium-1-yl]ethanol Openeye Name: 2-[4-[1-(4-pyridylmethyl)piperidin-1-ium-4-yl]piperazin-4-ium-1-yl]ethanol CAS Name: 2-[4-[1-(pyridin-4-ylmethyl)-4-piperidin-1-iumyl]-1-piperazin-4-iumyl]ethanol IUPAC Name: 2-[4-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]piperazin-4-ium-1-yl]ethanol Traditional Name: 2-[4-[1-(4-pyridylmethyl)piperidin-1-ium-4-yl]piperazin-4-ium-1-yl]ethanol Formula: C17H30N4O+2 MolecularWeight: 306.4463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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