N,N-diethyl-1-[(3S)-1-propylpiperidin-1-ium-3-yl]-1,2,3-triazole-4-carboxamide

Systemtic Name: N,N-diethyl-1-[(3S)-1-propylpiperidin-1-ium-3-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N,N-diethyl-1-[(3S)-1-propylpiperidin-1-ium-3-yl]triazole-4-carboxamide CAS Name: N,N-diethyl-1-[(3S)-1-propyl-3-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N,N-diethyl-1-[(3S)-1-propylpiperidin-1-ium-3-yl]triazole-4-carboxamide Traditional Name: N,N-diethyl-1-[(3S)-1-propylpiperidin-1-ium-3-yl]triazole-4-carboxamide Formula: C15H28N5O+ MolecularWeight: 294.41572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCCC(C1)N2C=C(N=N2)C(=O)N(CC)CC

Isomeric SMILES

CCC[NH+]1CCC[C@@H](C1)N2C=C(N=N2)C(=O)N(CC)CC

InChI

InChI=1S/C15H27N5O/c1-4-9-18-10-7-8-13(11-18)20-12-14(16-17-20)15(21)19(5-2)6-3/h12-13H,4-11H2,1-3H3/p+1/t13-/m0/s1