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

Systemtic Name: methyl 4-[4-[[4-(3-methoxyphenyl)carbonylpiperazin-1-ium-1-yl]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate Openeye Name: methyl 4-[4-[[4-(3-methoxybenzoyl)piperazin-1-ium-1-yl]methyl]-5-methyl-oxazol-2-yl]benzoate CAS Name: 4-[4-[[4-[(3-methoxyphenyl)-oxomethyl]-1-piperazin-1-iumyl]methyl]-5-methyl-2-oxazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[[4-(3-methoxybenzoyl)piperazin-1-ium-1-yl]methyl]-5-methyl-1,3-oxazol-2-yl]benzoate Traditional Name: 4-[4-[(4-m-anisoylpiperazin-1-ium-1-yl)methyl]-5-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(=CC=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(=CC=C4)OC

InChI

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