2-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 2-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 2-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 2-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C26H32N5O2S+ MolecularWeight: 478.62958

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCCC4

Isomeric SMILES

CN1C=CN=C1SCC(=O)NC2=CC=CC=C2C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCCC4

InChI

InChI=1S/C26H31N5O2S/c1-30-16-13-27-26(30)34-19-24(32)29-23-8-4-3-7-22(23)25(33)28-17-20-9-11-21(12-10-20)18-31-14-5-2-6-15-31/h3-4,7-13,16H,2,5-6,14-15,17-19H2,1H3,(H,28,33)(H,29,32)/p+1