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

Systemtic Name: 2-(3-chlorophenyl)-5-methyl-4-[[4-(pyridin-3-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-oxazole Openeye Name: 2-(3-chlorophenyl)-5-methyl-4-[[4-(3-pyridylmethyl)piperazin-1-ium-1-yl]methyl]oxazole CAS Name: 2-(3-chlorophenyl)-5-methyl-4-[[4-(3-pyridinylmethyl)-1-piperazin-1-iumyl]methyl]oxazole IUPAC Name: 2-(3-chlorophenyl)-5-methyl-4-[[4-(pyridin-3-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-oxazole Traditional Name: 2-(3-chlorophenyl)-5-methyl-4-[[4-(3-pyridylmethyl)piperazin-1-ium-1-yl]methyl]oxazole Formula: C21H24ClN4O+ MolecularWeight: 383.89446

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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=CN=CC=C4

Isomeric SMILES

CC1=C(N=C(O1)C2=CC(=CC=C2)Cl)C[NH+]3CCN(CC3)CC4=CN=CC=C4

InChI

InChI=1S/C21H23ClN4O/c1-16-20(24-21(27-16)18-5-2-6-19(22)12-18)15-26-10-8-25(9-11-26)14-17-4-3-7-23-13-17/h2-7,12-13H,8-11,14-15H2,1H3/p+1