2-[4-[(3R)-3-acetamido-3-phenyl-propanoyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[4-[(3R)-3-acetamido-3-phenyl-propanoyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[4-[(3R)-3-acetamido-3-phenyl-propanoyl]piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide CAS Name: 2-[4-[(3R)-3-acetamido-1-oxo-3-phenylpropyl]-1-piperazin-1-iumyl]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[4-[(3R)-3-acetamido-3-phenylpropanoyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[4-[(3R)-3-acetamido-3-phenyl-propanoyl]piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide Formula: C24H31N4O3+ MolecularWeight: 423.52794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4O3/c1-18-8-10-21(11-9-18)26-23(30)17-27-12-14-28(15-13-27)24(31)16-22(25-19(2)29)20-6-4-3-5-7-20/h3-11,22H,12-17H2,1-2H3,(H,25,29)(H,26,30)/p+1/t22-/m1/s1