3,5-dimethyl-4-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2-oxazole

Systemtic Name: 3,5-dimethyl-4-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2-oxazole Openeye Name: 3,5-dimethyl-4-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]isoxazole CAS Name: 3,5-dimethyl-4-[[[4-phenyl-5-(1-piperidin-1-iumylmethyl)-1,2,4-triazol-3-yl]thio]methyl]isoxazole IUPAC Name: 3,5-dimethyl-4-[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2-oxazole Traditional Name: 3,5-dimethyl-4-[[[4-phenyl-5-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]isoxazole Formula: C20H26N5OS+ MolecularWeight: 384.51834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=NN=C(N2C3=CC=CC=C3)C[NH+]4CCCCC4

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=NN=C(N2C3=CC=CC=C3)C[NH+]4CCCCC4

InChI

InChI=1S/C20H25N5OS/c1-15-18(16(2)26-23-15)14-27-20-22-21-19(13-24-11-7-4-8-12-24)25(20)17-9-5-3-6-10-17/h3,5-6,9-10H,4,7-8,11-14H2,1-2H3/p+1