4-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-1-[(3-methylphenyl)methyl]piperazin-4-ium-2-one

Systemtic Name: 4-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-1-[(3-methylphenyl)methyl]piperazin-4-ium-2-one Openeye Name: 4-[[5-methyl-2-(5-methyl-2-thienyl)oxazol-4-yl]methyl]-1-(m-tolylmethyl)piperazin-4-ium-2-one CAS Name: 4-[[5-methyl-2-(5-methyl-2-thiophenyl)-4-oxazolyl]methyl]-1-[(3-methylphenyl)methyl]-2-piperazin-4-iumone IUPAC Name: 4-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-1-[(3-methylphenyl)methyl]piperazin-4-ium-2-one Traditional Name: 1-(3-methylbenzyl)-4-[[5-methyl-2-(5-methyl-2-thienyl)oxazol-4-yl]methyl]piperazin-4-ium-2-one Formula: C22H26N3O2S+ MolecularWeight: 396.52574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CC[NH+](CC2=O)CC3=C(OC(=N3)C4=CC=C(S4)C)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2CC[NH+](CC2=O)CC3=C(OC(=N3)C4=CC=C(S4)C)C

InChI

InChI=1S/C22H25N3O2S/c1-15-5-4-6-18(11-15)12-25-10-9-24(14-21(25)26)13-19-17(3)27-22(23-19)20-8-7-16(2)28-20/h4-8,11H,9-10,12-14H2,1-3H3/p+1