ethyl 4-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[[5-methyl-2-(5-methyl-2-thienyl)oxazol-4-yl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[5-methyl-2-(5-methyl-2-thiophenyl)-4-oxazolyl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[[5-methyl-2-(5-methyl-2-thienyl)oxazol-4-yl]methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C17H24N3O3S+ MolecularWeight: 350.45576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=C(OC(=N2)C3=CC=C(S3)C)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=C(OC(=N2)C3=CC=C(S3)C)C

InChI

InChI=1S/C17H23N3O3S/c1-4-22-17(21)20-9-7-19(8-10-20)11-14-13(3)23-16(18-14)15-6-5-12(2)24-15/h5-6H,4,7-11H2,1-3H3/p+1