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

Systemtic Name: N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide Openeye Name: N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]thiazol-2-yl]-4-(thiazol-4-ylmethylsulfanyl)benzamide CAS Name: N-[4-[(4-methyl-1-piperidin-1-iumyl)methyl]-2-thiazolyl]-4-(4-thiazolylmethylthio)benzamide IUPAC Name: N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]-4-(1,3-thiazol-4-ylmethylsulfanyl)benzamide Traditional Name: N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]thiazol-2-yl]-4-(thiazol-4-ylmethylthio)benzamide Formula: C21H25N4OS3+ MolecularWeight: 445.6444

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=CSC(=N2)NC(=O)C3=CC=C(C=C3)SCC4=CSC=N4

Isomeric SMILES

CC1CC[NH+](CC1)CC2=CSC(=N2)NC(=O)C3=CC=C(C=C3)SCC4=CSC=N4

InChI

InChI=1S/C21H24N4OS3/c1-15-6-8-25(9-7-15)10-17-12-29-21(23-17)24-20(26)16-2-4-19(5-3-16)28-13-18-11-27-14-22-18/h2-5,11-12,14-15H,6-10,13H2,1H3,(H,23,24,26)/p+1