N,N-diethyl-1-[(3S)-1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-3-yl]-1,2,3-triazole-4-carboxamide

Systemtic Name: N,N-diethyl-1-[(3S)-1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-3-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N,N-diethyl-1-[(3S)-1-[(6-methyl-2-pyridyl)methyl]piperidin-1-ium-3-yl]triazole-4-carboxamide CAS Name: N,N-diethyl-1-[(3S)-1-[(6-methyl-2-pyridinyl)methyl]-3-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N,N-diethyl-1-[(3S)-1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-3-yl]triazole-4-carboxamide Traditional Name: N,N-diethyl-1-[(3S)-1-[(6-methyl-2-pyridyl)methyl]piperidin-1-ium-3-yl]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)C2CCC[NH+](C2)CC3=CC=CC(=N3)C

Isomeric SMILES

CCN(CC)C(=O)C1=CN(N=N1)[C@H]2CCC[NH+](C2)CC3=CC=CC(=N3)C

InChI

InChI=1S/C19H28N6O/c1-4-24(5-2)19(26)18-14-25(22-21-18)17-10-7-11-23(13-17)12-16-9-6-8-15(3)20-16/h6,8-9,14,17H,4-5,7,10-13H2,1-3H3/p+1/t17-/m0/s1