1-(2-piperidin-1-ium-1-ylethyl)-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-(2-piperidin-1-ium-1-ylethyl)-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N-[(1R)-1-methyl-2-pyrazin-2-yl-ethyl]-1-(2-piperidin-1-ium-1-ylethyl)triazole-4-carboxamide CAS Name: 1-[2-(1-piperidin-1-iumyl)ethyl]-N-[(2R)-1-(2-pyrazinyl)propan-2-yl]-4-triazolecarboxamide IUPAC Name: 1-(2-piperidin-1-ium-1-ylethyl)-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]triazole-4-carboxamide Traditional Name: N-[(1R)-1-methyl-2-pyrazin-2-yl-ethyl]-1-(2-piperidin-1-ium-1-ylethyl)triazole-4-carboxamide Formula: C17H26N7O+ MolecularWeight: 344.43464

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=NC=CN=C1)NC(=O)C2=CN(N=N2)CC[NH+]3CCCCC3

Isomeric SMILES

C[C@H](CC1=NC=CN=C1)NC(=O)C2=CN(N=N2)CC[NH+]3CCCCC3

InChI

InChI=1S/C17H25N7O/c1-14(11-15-12-18-5-6-19-15)20-17(25)16-13-24(22-21-16)10-9-23-7-3-2-4-8-23/h5-6,12-14H,2-4,7-11H2,1H3,(H,20,25)/p+1/t14-/m1/s1