2-(3-chlorophenyl)-5-methyl-4-[[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-oxazole

Systemtic Name: 2-(3-chlorophenyl)-5-methyl-4-[[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-oxazole Openeye Name: 2-(3-chlorophenyl)-5-methyl-4-[[4-(2-thienylmethyl)piperazin-1-ium-1-yl]methyl]oxazole CAS Name: 2-(3-chlorophenyl)-5-methyl-4-[[4-(thiophen-2-ylmethyl)-1-piperazin-1-iumyl]methyl]oxazole IUPAC Name: 2-(3-chlorophenyl)-5-methyl-4-[[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-oxazole Traditional Name: 2-(3-chlorophenyl)-5-methyl-4-[[4-(2-thenyl)piperazin-1-ium-1-yl]methyl]oxazole Formula: C20H23ClN3OS+ MolecularWeight: 388.93412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC(=CC=C2)Cl)C[NH+]3CCN(CC3)CC4=CC=CS4

Isomeric SMILES

CC1=C(N=C(O1)C2=CC(=CC=C2)Cl)C[NH+]3CCN(CC3)CC4=CC=CS4

InChI

InChI=1S/C20H22ClN3OS/c1-15-19(22-20(25-15)16-4-2-5-17(21)12-16)14-24-9-7-23(8-10-24)13-18-6-3-11-26-18/h2-6,11-12H,7-10,13-14H2,1H3/p+1