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

Systemtic Name: 2-[4-[(3R)-3-acetamido-3-phenyl-propanoyl]piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)ethanamide Openeye Name: 2-[4-[(3R)-3-acetamido-3-phenyl-propanoyl]piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide CAS Name: 2-[4-[(3R)-3-acetamido-1-oxo-3-phenylpropyl]-1-piperazin-1-iumyl]-N-(2,3-dimethylphenyl)acetamide IUPAC Name: 2-[4-[(3R)-3-acetamido-3-phenylpropanoyl]piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide Traditional Name: 2-[4-[(3R)-3-acetamido-3-phenyl-propanoyl]piperazin-1-ium-1-yl]-N-(2,3-dimethylphenyl)acetamide Formula: C25H33N4O3+ MolecularWeight: 437.55452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4O3/c1-18-8-7-11-22(19(18)2)27-24(31)17-28-12-14-29(15-13-28)25(32)16-23(26-20(3)30)21-9-5-4-6-10-21/h4-11,23H,12-17H2,1-3H3,(H,26,30)(H,27,31)/p+1/t23-/m1/s1