N-[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-[(1S)-1-benzyl-2-oxo-propyl]-2-(4-benzylpiperidin-1-ium-1-yl)acetamide CAS Name: N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide Traditional Name: N-[(1S)-1-benzyl-2-keto-propyl]-2-(4-benzylpiperidin-1-ium-1-yl)acetamide Formula: C24H31N2O2+ MolecularWeight: 379.51514

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=CC=C1)NC(=O)C[NH+]2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C[NH+]2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C24H30N2O2/c1-19(27)23(17-21-10-6-3-7-11-21)25-24(28)18-26-14-12-22(13-15-26)16-20-8-4-2-5-9-20/h2-11,22-23H,12-18H2,1H3,(H,25,28)/p+1/t23-/m0/s1