ethyl 1-(thiophen-3-ylmethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-(thiophen-3-ylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-(3-thienylmethyl)piperidin-1-ium-4-carboxylate CAS Name: 1-(3-thiophenylmethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(thiophen-3-ylmethyl)piperidin-1-ium-4-carboxylate Traditional Name: 1-(3-thenyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C13H20NO2S+ MolecularWeight: 254.3684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=CSC=C2

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=CSC=C2

InChI

InChI=1S/C13H19NO2S/c1-2-16-13(15)12-3-6-14(7-4-12)9-11-5-8-17-10-11/h5,8,10,12H,2-4,6-7,9H2,1H3/p+1