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

Systemtic Name: 1-[(3-methylphenyl)methyl]-4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-4-ium-2-one Openeye Name: 4-[[5-methyl-2-(2-thienyl)oxazol-4-yl]methyl]-1-(m-tolylmethyl)piperazin-4-ium-2-one CAS Name: 1-[(3-methylphenyl)methyl]-4-[(5-methyl-2-thiophen-2-yl-4-oxazolyl)methyl]-2-piperazin-4-iumone IUPAC Name: 1-[(3-methylphenyl)methyl]-4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-4-ium-2-one Traditional Name: 1-(3-methylbenzyl)-4-[[5-methyl-2-(2-thienyl)oxazol-4-yl]methyl]piperazin-4-ium-2-one Formula: C21H24N3O2S+ MolecularWeight: 382.49916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CC[NH+](CC2=O)CC3=C(OC(=N3)C4=CC=CS4)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2CC[NH+](CC2=O)CC3=C(OC(=N3)C4=CC=CS4)C

InChI

InChI=1S/C21H23N3O2S/c1-15-5-3-6-17(11-15)12-24-9-8-23(14-20(24)25)13-18-16(2)26-21(22-18)19-7-4-10-27-19/h3-7,10-11H,8-9,12-14H2,1-2H3/p+1