(2S)-N-(methylcarbamoyl)-2-phenyl-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: (2S)-N-(methylcarbamoyl)-2-phenyl-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanamide Openeye Name: (2S)-2-(4-benzylpiperidin-1-ium-1-yl)-N-(methylcarbamoyl)-2-phenyl-acetamide CAS Name: (2S)-N-(methylcarbamoyl)-2-phenyl-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]acetamide IUPAC Name: (2S)-2-(4-benzylpiperidin-1-ium-1-yl)-N-(methylcarbamoyl)-2-phenylacetamide Traditional Name: (2S)-2-(4-benzylpiperidin-1-ium-1-yl)-N-(methylcarbamoyl)-2-phenyl-acetamide Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC(=O)C(C1=CC=CC=C1)[NH+]2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CNC(=O)NC(=O)[C@H](C1=CC=CC=C1)[NH+]2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2/c1-23-22(27)24-21(26)20(19-10-6-3-7-11-19)25-14-12-18(13-15-25)16-17-8-4-2-5-9-17/h2-11,18,20H,12-16H2,1H3,(H2,23,24,26,27)/p+1/t20-/m0/s1