2-[4-[(3S)-3-acetamido-3-phenyl-propanoyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-[(3S)-3-acetamido-3-phenyl-propanoyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[4-[(3S)-3-acetamido-3-phenyl-propanoyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[4-[(3S)-3-acetamido-1-oxo-3-phenylpropyl]-1-piperazin-1-iumyl]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[4-[(3S)-3-acetamido-3-phenylpropanoyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[4-[(3S)-3-acetamido-3-phenyl-propanoyl]piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide Formula: C25H33N4O3+ MolecularWeight: 437.55452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4O3/c1-18-8-7-9-19(2)25(18)27-23(31)17-28-12-14-29(15-13-28)24(32)16-22(26-20(3)30)21-10-5-4-6-11-21/h4-11,22H,12-17H2,1-3H3,(H,26,30)(H,27,31)/p+1/t22-/m0/s1