[(2S)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-pyridin-2-yl-ethyl]azanium

Systemtic Name: [(2S)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-pyridin-2-yl-ethyl]azanium Openeye Name: [(2S)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-(2-pyridyl)ethyl]ammonium CAS Name: [(2S)-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [(2S)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-pyridin-2-ylethyl]azanium Traditional Name: [(2S)-2-(4-pyridin-1-ium-2-ylpiperazino)-2-(2-pyridyl)ethyl]ammonium Formula: C16H23N5+2 MolecularWeight: 285.38732

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(C[NH3+])C3=CC=CC=N3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)[C@@H](C[NH3+])C3=CC=CC=N3

InChI

InChI=1S/C16H21N5/c17-13-15(14-5-1-3-7-18-14)20-9-11-21(12-10-20)16-6-2-4-8-19-16/h1-8,15H,9-13,17H2/p+2/t15-/m0/s1