1-[(2R)-1-oxidanylidene-1-(2-thiophen-2-ylethylamino)propan-2-yl]-N-phenyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2R)-1-oxidanylidene-1-(2-thiophen-2-ylethylamino)propan-2-yl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1R)-1-methyl-2-oxo-2-[2-(2-thienyl)ethylamino]ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(2R)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2R)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[(1R)-2-keto-1-methyl-2-[2-(2-thienyl)ethylamino]ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CS1)[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NCCC1=CC=CS1)[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O2S/c1-16(20(25)22-12-9-19-8-5-15-27-19)24-13-10-17(11-14-24)21(26)23-18-6-3-2-4-7-18/h2-8,15-17H,9-14H2,1H3,(H,22,25)(H,23,26)/p+1/t16-/m1/s1