methyl 4-[4-[[4-(4-methoxyphenyl)carbonylpiperazin-1-ium-1-yl]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate

Systemtic Name: methyl 4-[4-[[4-(4-methoxyphenyl)carbonylpiperazin-1-ium-1-yl]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate Openeye Name: methyl 4-[4-[[4-(4-methoxybenzoyl)piperazin-1-ium-1-yl]methyl]-5-methyl-oxazol-2-yl]benzoate CAS Name: 4-[4-[[4-[(4-methoxyphenyl)-oxomethyl]-1-piperazin-1-iumyl]methyl]-5-methyl-2-oxazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[[4-(4-methoxybenzoyl)piperazin-1-ium-1-yl]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate Traditional Name: 4-[5-methyl-4-[(4-p-anisoylpiperazin-1-ium-1-yl)methyl]oxazol-2-yl]benzoic acid methyl ester Formula: C25H28N3O5+ MolecularWeight: 450.50692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=C(C=C2)C(=O)OC)C[NH+]3CCN(CC3)C(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=C(C=C2)C(=O)OC)C[NH+]3CCN(CC3)C(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H27N3O5/c1-17-22(26-23(33-17)18-4-6-20(7-5-18)25(30)32-3)16-27-12-14-28(15-13-27)24(29)19-8-10-21(31-2)11-9-19/h4-11H,12-16H2,1-3H3/p+1