N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide

Systemtic Name: N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide Openeye Name: N-[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]-4-(thiazol-4-ylmethylsulfanyl)benzamide CAS Name: N-[4-(1-piperidin-1-iumylmethyl)-2-thiazolyl]-4-(4-thiazolylmethylthio)benzamide IUPAC Name: N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide Traditional Name: N-[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]-4-(thiazol-4-ylmethylthio)benzamide Formula: C20H23N4OS3+ MolecularWeight: 431.61782

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CSC(=N2)NC(=O)C3=CC=C(C=C3)SCC4=CSC=N4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CSC(=N2)NC(=O)C3=CC=C(C=C3)SCC4=CSC=N4

InChI

InChI=1S/C20H22N4OS3/c25-19(15-4-6-18(7-5-15)27-13-17-11-26-14-21-17)23-20-22-16(12-28-20)10-24-8-2-1-3-9-24/h4-7,11-12,14H,1-3,8-10,13H2,(H,22,23,25)/p+1