N,N-diethyl-1-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-yl]methyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: N,N-diethyl-1-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-yl]methyl]-1,2,3-triazole-4-carboxamide Openeye Name: N,N-diethyl-1-[[(3S)-1-(3-pyridylmethyl)piperidin-1-ium-3-yl]methyl]triazole-4-carboxamide CAS Name: N,N-diethyl-1-[[(3S)-1-(3-pyridinylmethyl)-3-piperidin-1-iumyl]methyl]-4-triazolecarboxamide IUPAC Name: N,N-diethyl-1-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-yl]methyl]triazole-4-carboxamide Traditional Name: N,N-diethyl-1-[[(3S)-1-(3-pyridylmethyl)piperidin-1-ium-3-yl]methyl]triazole-4-carboxamide Formula: C19H29N6O+ MolecularWeight: 357.47316

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CN(N=N1)CC2CCC[NH+](C2)CC3=CN=CC=C3

Isomeric SMILES

CCN(CC)C(=O)C1=CN(N=N1)C[C@H]2CCC[NH+](C2)CC3=CN=CC=C3

InChI

InChI=1S/C19H28N6O/c1-3-24(4-2)19(26)18-15-25(22-21-18)14-17-8-6-10-23(13-17)12-16-7-5-9-20-11-16/h5,7,9,11,15,17H,3-4,6,8,10,12-14H2,1-2H3/p+1/t17-/m0/s1