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

Systemtic Name: 3-methyl-5-[[4-phenyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2-oxazole Openeye Name: 3-methyl-5-[[4-phenyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]isoxazole CAS Name: 3-methyl-5-[[[4-phenyl-5-(1-pyrrolidin-1-iumylmethyl)-1,2,4-triazol-3-yl]thio]methyl]isoxazole IUPAC Name: 3-methyl-5-[[4-phenyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2-oxazole Traditional Name: 3-methyl-5-[[[4-phenyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]isoxazole Formula: C18H22N5OS+ MolecularWeight: 356.46518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)CSC2=NN=C(N2C3=CC=CC=C3)C[NH+]4CCCC4

Isomeric SMILES

CC1=NOC(=C1)CSC2=NN=C(N2C3=CC=CC=C3)C[NH+]4CCCC4

InChI

InChI=1S/C18H21N5OS/c1-14-11-16(24-21-14)13-25-18-20-19-17(12-22-9-5-6-10-22)23(18)15-7-3-2-4-8-15/h2-4,7-8,11H,5-6,9-10,12-13H2,1H3/p+1