(3S)-1-ethyl-N-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-ethyl-N-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-ethyl-N-[2-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-ethyl-N-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-ethyl-N-[2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-ethyl-N-[2-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]ethyl]piperidin-1-ium-3-carboxamide Formula: C17H25N6O+ MolecularWeight: 329.42

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC(C1)C(=O)NCCC2=NC(=NN2)C3=CC=NC=C3

Isomeric SMILES

CC[NH+]1CCC[C@@H](C1)C(=O)NCCC2=NC(=NN2)C3=CC=NC=C3

InChI

InChI=1S/C17H24N6O/c1-2-23-11-3-4-14(12-23)17(24)19-10-7-15-20-16(22-21-15)13-5-8-18-9-6-13/h5-6,8-9,14H,2-4,7,10-12H2,1H3,(H,19,24)(H,20,21,22)/p+1/t14-/m0/s1