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

Systemtic Name: N-cyclopentyl-1-[(3S)-1-(thiophen-3-ylmethyl)piperidin-1-ium-3-yl]-1,2,3-triazole-4-carboxamide Openeye Name: N-cyclopentyl-1-[(3S)-1-(3-thienylmethyl)piperidin-1-ium-3-yl]triazole-4-carboxamide CAS Name: N-cyclopentyl-1-[(3S)-1-(3-thiophenylmethyl)-3-piperidin-1-iumyl]-4-triazolecarboxamide IUPAC Name: N-cyclopentyl-1-[(3S)-1-(thiophen-3-ylmethyl)piperidin-1-ium-3-yl]triazole-4-carboxamide Traditional Name: N-cyclopentyl-1-[(3S)-1-(3-thenyl)piperidin-1-ium-3-yl]triazole-4-carboxamide Formula: C18H26N5OS+ MolecularWeight: 360.49694

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C2=CN(N=N2)C3CCC[NH+](C3)CC4=CSC=C4

Isomeric SMILES

C1CCC(C1)NC(=O)C2=CN(N=N2)[C@H]3CCC[NH+](C3)CC4=CSC=C4

InChI

InChI=1S/C18H25N5OS/c24-18(19-15-4-1-2-5-15)17-12-23(21-20-17)16-6-3-8-22(11-16)10-14-7-9-25-13-14/h7,9,12-13,15-16H,1-6,8,10-11H2,(H,19,24)/p+1/t16-/m0/s1