N-[1-[(4-cyclopropyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-yl]benzamide

Systemtic Name: N-[1-[(4-cyclopropyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-yl]benzamide Openeye Name: N-[1-[[4-cyclopropyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-yl]benzamide CAS Name: N-[1-[(4-cyclopropyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]-4-piperidin-1-iumyl]benzamide IUPAC Name: N-[1-[(4-cyclopropyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-yl]benzamide Traditional Name: N-[1-[[4-cyclopropyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-yl]benzamide Formula: C22H26N5OS2+ MolecularWeight: 440.60474

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN(C2=S)C[NH+]3CCC(CC3)NC(=O)C4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

C1CC1N2C(=NN(C2=S)C[NH+]3CCC(CC3)NC(=O)C4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C22H25N5OS2/c28-21(16-5-2-1-3-6-16)23-17-10-12-25(13-11-17)15-26-22(29)27(18-8-9-18)20(24-26)19-7-4-14-30-19/h1-7,14,17-18H,8-13,15H2,(H,23,28)/p+1