2-(4-methylphenoxy)-N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]ethanamide

Systemtic Name: 2-(4-methylphenoxy)-N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]ethanamide Openeye Name: 2-(4-methylphenoxy)-N-[(2S)-2-piperidin-1-ium-1-yl-2-(2-thienyl)ethyl]acetamide CAS Name: 2-(4-methylphenoxy)-N-[(2S)-2-(1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]acetamide IUPAC Name: 2-(4-methylphenoxy)-N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-ylethyl]acetamide Traditional Name: 2-(4-methylphenoxy)-N-[(2S)-2-piperidin-1-ium-1-yl-2-(2-thienyl)ethyl]acetamide Formula: C20H27N2O2S+ MolecularWeight: 359.50558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(=O)NCC(C2=CC=CS2)[NH+]3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)OCC(=O)NC[C@@H](C2=CC=CS2)[NH+]3CCCCC3

InChI

InChI=1S/C20H26N2O2S/c1-16-7-9-17(10-8-16)24-15-20(23)21-14-18(19-6-5-13-25-19)22-11-3-2-4-12-22/h5-10,13,18H,2-4,11-12,14-15H2,1H3,(H,21,23)/p+1/t18-/m0/s1