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

Systemtic Name: 3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole Openeye Name: 3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-5-(2-thienyl)isoxazole CAS Name: 3-[[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]methyl]-5-thiophen-2-ylisoxazole IUPAC Name: 3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole Traditional Name: 3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-5-(2-thienyl)isoxazole Formula: C20H24N3OS+ MolecularWeight: 354.48906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=NOC(=C3)C4=CC=CS4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=NOC(=C3)C4=CC=CS4)C

InChI

InChI=1S/C20H23N3OS/c1-15-5-3-6-18(16(15)2)23-10-8-22(9-11-23)14-17-13-19(24-21-17)20-7-4-12-25-20/h3-7,12-13H,8-11,14H2,1-2H3/p+1