piperidin-1-yl-[1-[(3S)-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-yl]-1,2,3-triazol-4-yl]methanone

Systemtic Name: piperidin-1-yl-[1-[(3S)-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-yl]-1,2,3-triazol-4-yl]methanone Openeye Name: 1-piperidyl-[1-[(3S)-1-(3-pyridylmethyl)piperidin-1-ium-3-yl]triazol-4-yl]methanone CAS Name: 1-piperidinyl-[1-[(3S)-1-(3-pyridinylmethyl)-3-piperidin-1-iumyl]-4-triazolyl]methanone IUPAC Name: piperidin-1-yl-[1-[(3S)-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-yl]triazol-4-yl]methanone Traditional Name: piperidino-[1-[(3S)-1-(3-pyridylmethyl)piperidin-1-ium-3-yl]triazol-4-yl]methanone Formula: C19H27N6O+ MolecularWeight: 355.45728

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CN(N=N2)C3CCC[NH+](C3)CC4=CN=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CN(N=N2)[C@H]3CCC[NH+](C3)CC4=CN=CC=C4

InChI

InChI=1S/C19H26N6O/c26-19(24-10-2-1-3-11-24)18-15-25(22-21-18)17-7-5-9-23(14-17)13-16-6-4-8-20-12-16/h4,6,8,12,15,17H,1-3,5,7,9-11,13-14H2/p+1/t17-/m0/s1