N-[[(3S)-1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide

Systemtic Name: N-[[(3S)-1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide Openeye Name: N-[[(3S)-1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide CAS Name: N-[[(3S)-1-[(2-ethoxyphenyl)methyl]-3-piperidin-1-iumyl]methyl]-2-thiophenecarboxamide IUPAC Name: N-[[(3S)-1-[(2-ethoxyphenyl)methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide Traditional Name: N-[[(3S)-1-(2-ethoxybenzyl)piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide Formula: C20H27N2O2S+ MolecularWeight: 359.50558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+]2CCCC(C2)CNC(=O)C3=CC=CS3

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+]2CCC[C@H](C2)CNC(=O)C3=CC=CS3

InChI

InChI=1S/C20H26N2O2S/c1-2-24-18-9-4-3-8-17(18)15-22-11-5-7-16(14-22)13-21-20(23)19-10-6-12-25-19/h3-4,6,8-10,12,16H,2,5,7,11,13-15H2,1H3,(H,21,23)/p+1/t16-/m0/s1