methyl 2-[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]ethanoate

Systemtic Name: methyl 2-[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]ethanoate Openeye Name: methyl 2-[1-(2-thienylmethyl)piperidin-1-ium-4-yl]acetate CAS Name: 2-[1-(thiophen-2-ylmethyl)-4-piperidin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]acetate Traditional Name: 2-[1-(2-thenyl)piperidin-1-ium-4-yl]acetic acid methyl ester Formula: C13H20NO2S+ MolecularWeight: 254.3684

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CC[NH+](CC1)CC2=CC=CS2

Isomeric SMILES

COC(=O)CC1CC[NH+](CC1)CC2=CC=CS2

InChI

InChI=1S/C13H19NO2S/c1-16-13(15)9-11-4-6-14(7-5-11)10-12-3-2-8-17-12/h2-3,8,11H,4-7,9-10H2,1H3/p+1