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

Systemtic Name: piperidin-1-yl-[1-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]-1,2,3-triazol-4-yl]methanone Openeye Name: 1-piperidyl-[1-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]triazol-4-yl]methanone CAS Name: 1-piperidinyl-[1-[1-(3-pyridinylmethyl)-4-piperidin-1-iumyl]-4-triazolyl]methanone IUPAC Name: piperidin-1-yl-[1-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]triazol-4-yl]methanone Traditional Name: piperidino-[1-[1-(3-pyridylmethyl)piperidin-1-ium-4-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)C3CC[NH+](CC3)CC4=CN=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CN(N=N2)C3CC[NH+](CC3)CC4=CN=CC=C4

InChI

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