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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NC(=C(O2)C)C[NH+]3CCN(C(=O)C3)CC4=CC=CC(=C4)C

Isomeric SMILES

CCOC1=CC=CC=C1C2=NC(=C(O2)C)C[NH+]3CCN(C(=O)C3)CC4=CC=CC(=C4)C

InChI

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