ethyl 4-methyl-2-piperazin-4-ium-1-yl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-methyl-2-piperazin-4-ium-1-yl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-piperazin-4-ium-1-yl-thiazole-5-carboxylate CAS Name: 4-methyl-2-(1-piperazin-4-iumyl)-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-piperazin-4-ium-1-yl-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-piperazin-4-ium-1-yl-thiazole-5-carboxylic acid ethyl ester Formula: C11H18N3O2S+ MolecularWeight: 256.34452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)N2CC[NH2+]CC2)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)N2CC[NH2+]CC2)C

InChI

InChI=1S/C11H17N3O2S/c1-3-16-10(15)9-8(2)13-11(17-9)14-6-4-12-5-7-14/h12H,3-7H2,1-2H3/p+1