2-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]ethanol

Systemtic Name: 2-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]ethanol Openeye Name: 2-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]ethanol CAS Name: 2-[4-(3-pyridinylmethyl)-1-piperazin-4-iumyl]ethanol IUPAC Name: 2-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]ethanol Traditional Name: 2-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]ethanol Formula: C12H20N3O+ MolecularWeight: 222.3067

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CN=CC=C2)CCO

Isomeric SMILES

C1CN(CC[NH+]1CC2=CN=CC=C2)CCO

InChI

InChI=1S/C12H19N3O/c16-9-8-14-4-6-15(7-5-14)11-12-2-1-3-13-10-12/h1-3,10,16H,4-9,11H2/p+1