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

Systemtic Name: 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 4-[(2-methylthiazol-4-yl)methylsulfanyl]-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 4-[(2-methyl-4-thiazolyl)methylthio]-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 4-[(2-methylthiazol-4-yl)methylthio]-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C25H30N3OS2+ MolecularWeight: 452.6552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CSC2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCCC4

Isomeric SMILES

CC1=NC(=CS1)CSC2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCCC4

InChI

InChI=1S/C25H29N3OS2/c1-19-27-23(17-30-19)18-31-24-11-9-22(10-12-24)25(29)26-15-20-5-7-21(8-6-20)16-28-13-3-2-4-14-28/h5-12,17H,2-4,13-16,18H2,1H3,(H,26,29)/p+1