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

Systemtic Name: 5-methyl-2-(4-methylphenyl)-4-[[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methyl]-1,3-oxazole Openeye Name: 5-methyl-2-(p-tolyl)-4-[[4-(3-thienylmethyl)piperazin-4-ium-1-yl]methyl]oxazole CAS Name: 5-methyl-2-(4-methylphenyl)-4-[[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methyl]oxazole IUPAC Name: 5-methyl-2-(4-methylphenyl)-4-[[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methyl]-1,3-oxazole Traditional Name: 5-methyl-2-(p-tolyl)-4-[[4-(3-thenyl)piperazin-4-ium-1-yl]methyl]oxazole Formula: C21H26N3OS+ MolecularWeight: 368.51564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(O2)C)CN3CC[NH+](CC3)CC4=CSC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(O2)C)CN3CC[NH+](CC3)CC4=CSC=C4

InChI

InChI=1S/C21H25N3OS/c1-16-3-5-19(6-4-16)21-22-20(17(2)25-21)14-24-10-8-23(9-11-24)13-18-7-12-26-15-18/h3-7,12,15H,8-11,13-14H2,1-2H3/p+1