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

Systemtic Name: N,N-diethyl-1-[(3S)-1-(thiophen-3-ylmethyl)piperidin-1-ium-3-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N,N-diethyl-1-[(3S)-1-(3-thienylmethyl)piperidin-1-ium-3-yl]triazole-4-carboxamide CAS Name: N,N-diethyl-1-[(3S)-1-(3-thiophenylmethyl)-3-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N,N-diethyl-1-[(3S)-1-(thiophen-3-ylmethyl)piperidin-1-ium-3-yl]triazole-4-carboxamide Traditional Name: N,N-diethyl-1-[(3S)-1-(3-thenyl)piperidin-1-ium-3-yl]triazole-4-carboxamide Formula: C17H26N5OS+ MolecularWeight: 348.48624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CN(N=N1)C2CCC[NH+](C2)CC3=CSC=C3

Isomeric SMILES

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

InChI

InChI=1S/C17H25N5OS/c1-3-21(4-2)17(23)16-12-22(19-18-16)15-6-5-8-20(11-15)10-14-7-9-24-13-14/h7,9,12-13,15H,3-6,8,10-11H2,1-2H3/p+1/t15-/m0/s1