2-[2-[(2S)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-2-yl]ethyl]pyridin-1-ium

Systemtic Name: 2-[2-[(2S)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-2-yl]ethyl]pyridin-1-ium Openeye Name: 2-[2-[(2S)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-2-yl]ethyl]pyridin-1-ium CAS Name: 2-[2-[(2S)-1-(1H-pyrazol-5-ylmethyl)-2-piperidin-1-iumyl]ethyl]pyridin-1-ium IUPAC Name: 2-[2-[(2S)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-2-yl]ethyl]pyridin-1-ium Traditional Name: 2-[2-[(2S)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-2-yl]ethyl]pyridin-1-ium Formula: C16H24N4+2 MolecularWeight: 272.38856

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)CCC2=CC=CC=[NH+]2)CC3=CC=NN3

Isomeric SMILES

C1CC[NH+]([C@@H](C1)CCC2=CC=CC=[NH+]2)CC3=CC=NN3

InChI

InChI=1S/C16H22N4/c1-3-10-17-14(5-1)7-8-16-6-2-4-12-20(16)13-15-9-11-18-19-15/h1,3,5,9-11,16H,2,4,6-8,12-13H2,(H,18,19)/p+2/t16-/m0/s1