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

Systemtic Name: 2-[4-[(3S)-3-acetamido-3-(4-methylphenyl)propanoyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[4-[(3S)-3-acetamido-3-(p-tolyl)propanoyl]piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide CAS Name: 2-[4-[(3S)-3-acetamido-3-(4-methylphenyl)-1-oxopropyl]-1-piperazin-1-iumyl]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[4-[(3S)-3-acetamido-3-(4-methylphenyl)propanoyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[4-[(3S)-3-acetamido-3-(p-tolyl)propanoyl]piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide Formula: C25H33N4O3+ MolecularWeight: 437.55452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)C)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CC(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)C)NC(=O)C

InChI

InChI=1S/C25H32N4O3/c1-18-4-8-21(9-5-18)23(26-20(3)30)16-25(32)29-14-12-28(13-15-29)17-24(31)27-22-10-6-19(2)7-11-22/h4-11,23H,12-17H2,1-3H3,(H,26,30)(H,27,31)/p+1/t23-/m0/s1