3-[(2S)-1-[[(2R)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]piperidin-1-ium-2-yl]pyridine

Systemtic Name: 3-[(2S)-1-[[(2R)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]piperidin-1-ium-2-yl]pyridine Openeye Name: 3-[(2S)-1-[[(2R)-2-(3-pyridyl)piperidin-1-ium-1-yl]methyl]piperidin-1-ium-2-yl]pyridine CAS Name: 3-[(2S)-1-[[(2R)-2-(3-pyridinyl)-1-piperidin-1-iumyl]methyl]-2-piperidin-1-iumyl]pyridine IUPAC Name: 3-[(2S)-1-[[(2R)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]piperidin-1-ium-2-yl]pyridine Traditional Name: 3-[(2S)-1-[[(2R)-2-(3-pyridyl)piperidin-1-ium-1-yl]methyl]piperidin-1-ium-2-yl]pyridine Formula: C21H30N4+2 MolecularWeight: 338.4897

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C2=CN=CC=C2)C[NH+]3CCCCC3C4=CN=CC=C4

Isomeric SMILES

C1CC[NH+]([C@H](C1)C2=CN=CC=C2)C[NH+]3CCCC[C@H]3C4=CN=CC=C4

InChI

InChI=1S/C21H28N4/c1-3-13-24(20(9-1)18-7-5-11-22-15-18)17-25-14-4-2-10-21(25)19-8-6-12-23-16-19/h5-8,11-12,15-16,20-21H,1-4,9-10,13-14,17H2/p+2/t20-,21+