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

Systemtic Name: 3-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole Openeye Name: 3-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]-5-(2-thienyl)isoxazole CAS Name: 3-[[4-(2-methylphenyl)-1-piperazin-1-iumyl]methyl]-5-thiophen-2-ylisoxazole IUPAC Name: 3-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole Traditional Name: 3-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]-5-(2-thienyl)isoxazole Formula: C19H22N3OS+ MolecularWeight: 340.46248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=NOC(=C3)C4=CC=CS4

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=NOC(=C3)C4=CC=CS4

InChI

InChI=1S/C19H21N3OS/c1-15-5-2-3-6-17(15)22-10-8-21(9-11-22)14-16-13-18(23-20-16)19-7-4-12-24-19/h2-7,12-13H,8-11,14H2,1H3/p+1