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

Systemtic Name: ethyl 4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[[5-methyl-2-(3-thienyl)oxazol-4-yl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[5-methyl-2-(3-thiophenyl)-4-oxazolyl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[[5-methyl-2-(3-thienyl)oxazol-4-yl]methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C16H22N3O3S+ MolecularWeight: 336.42918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O3S/c1-3-21-16(20)19-7-5-18(6-8-19)10-14-12(2)22-15(17-14)13-4-9-23-11-13/h4,9,11H,3,5-8,10H2,1-2H3/p+1