N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-[4-(1-piperidin-1-iumylmethyl)-2-thiazolyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C19H23N6OS2+ MolecularWeight: 415.55552

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CSC(=N2)NC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CSC(=N2)NC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

InChI

InChI=1S/C19H22N6OS2/c26-17(15-6-4-14(5-7-15)11-27-18-20-13-21-24-18)23-19-22-16(12-28-19)10-25-8-2-1-3-9-25/h4-7,12-13H,1-3,8-11H2,(H,20,21,24)(H,22,23,26)/p+1