N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-2-thiophen-2-yl-ethanamide

Systemtic Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-2-thiophen-2-yl-ethanamide Openeye Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-2-(2-thienyl)acetamide CAS Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]-2-thiophen-2-ylacetamide IUPAC Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-2-thiophen-2-ylacetamide Traditional Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-2-(2-thienyl)acetamide Formula: C21H29N2OS+ MolecularWeight: 357.53276

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)CCCC2=CC=CC=C2)C(=O)CC3=CC=CS3

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)CCCC2=CC=CC=C2)C(=O)CC3=CC=CS3

InChI

InChI=1S/C21H28N2OS/c1-22(21(24)16-20-12-7-15-25-20)19-11-6-14-23(17-19)13-5-10-18-8-3-2-4-9-18/h2-4,7-9,12,15,19H,5-6,10-11,13-14,16-17H2,1H3/p+1/t19-/m0/s1