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

Systemtic Name: 4-[[2-(4-methoxy-3-methyl-phenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-[(3-methylphenyl)methyl]piperazin-4-ium-2-one Openeye Name: 4-[[2-(4-methoxy-3-methyl-phenyl)-5-methyl-oxazol-4-yl]methyl]-1-(m-tolylmethyl)piperazin-4-ium-2-one CAS Name: 4-[[2-(4-methoxy-3-methylphenyl)-5-methyl-4-oxazolyl]methyl]-1-[(3-methylphenyl)methyl]-2-piperazin-4-iumone IUPAC Name: 4-[[2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-[(3-methylphenyl)methyl]piperazin-4-ium-2-one Traditional Name: 4-[[2-(4-methoxy-3-methyl-phenyl)-5-methyl-oxazol-4-yl]methyl]-1-(3-methylbenzyl)piperazin-4-ium-2-one Formula: C25H30N3O3+ MolecularWeight: 420.524

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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(C=C4)OC)C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O3/c1-17-6-5-7-20(12-17)14-28-11-10-27(16-24(28)29)15-22-19(3)31-25(26-22)21-8-9-23(30-4)18(2)13-21/h5-9,12-13H,10-11,14-16H2,1-4H3/p+1