N-(2,6-dimethylphenyl)-2-[4-[(2S)-2-phenylpentanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[(2S)-2-phenylpentanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-[(2S)-2-phenylpentanoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[(2S)-1-oxo-2-phenylpentyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[(2S)-2-phenylpentanoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-[(2S)-2-phenylpentanoyl]piperazin-1-ium-1-yl]acetamide Formula: C25H34N3O2+ MolecularWeight: 408.55636

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=C(C=CC=C3C)C

Isomeric SMILES

CCC[C@@H](C1=CC=CC=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=C(C=CC=C3C)C

InChI

InChI=1S/C25H33N3O2/c1-4-9-22(21-12-6-5-7-13-21)25(30)28-16-14-27(15-17-28)18-23(29)26-24-19(2)10-8-11-20(24)3/h5-8,10-13,22H,4,9,14-18H2,1-3H3,(H,26,29)/p+1/t22-/m0/s1