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

Systemtic Name: methyl 4-[4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-4-ium-1-yl]benzoate Openeye Name: methyl 4-[4-[[2-(4-methoxyphenyl)-5-methyl-oxazol-4-yl]methyl]piperazin-4-ium-1-yl]benzoate CAS Name: 4-[4-[[2-(4-methoxyphenyl)-5-methyl-4-oxazolyl]methyl]-1-piperazin-4-iumyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-4-ium-1-yl]benzoate Traditional Name: 4-[4-[[2-(4-methoxyphenyl)-5-methyl-oxazol-4-yl]methyl]piperazin-4-ium-1-yl]benzoic acid methyl ester Formula: C24H28N3O4+ MolecularWeight: 422.49682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O4/c1-17-22(25-23(31-17)18-6-10-21(29-2)11-7-18)16-26-12-14-27(15-13-26)20-8-4-19(5-9-20)24(28)30-3/h4-11H,12-16H2,1-3H3/p+1