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

Systemtic Name: ethyl 4-[(3-methylthiophen-2-yl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(3-methyl-2-thienyl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(3-methyl-2-thiophenyl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-methylthiophen-2-yl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(3-methyl-2-thienyl)methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C13H21N2O2S+ MolecularWeight: 269.38304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=C(C=CS2)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=C(C=CS2)C

InChI

InChI=1S/C13H20N2O2S/c1-3-17-13(16)15-7-5-14(6-8-15)10-12-11(2)4-9-18-12/h4,9H,3,5-8,10H2,1-2H3/p+1