4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazole

Systemtic Name: 4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazole Openeye Name: 4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-2-(3-methyl-2-thienyl)oxazole CAS Name: 4-[[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]methyl]-5-methyl-2-(3-methyl-2-thiophenyl)oxazole IUPAC Name: 4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazole Traditional Name: 4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-2-(3-methyl-2-thienyl)oxazole Formula: C22H28N3OS+ MolecularWeight: 382.54222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=C(OC(=N3)C4=C(C=CS4)C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=C(OC(=N3)C4=C(C=CS4)C)C)C

InChI

InChI=1S/C22H27N3OS/c1-15-6-5-7-20(17(15)3)25-11-9-24(10-12-25)14-19-18(4)26-22(23-19)21-16(2)8-13-27-21/h5-8,13H,9-12,14H2,1-4H3/p+1