2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-N-[(2S)-octan-2-yl]ethanamide

Systemtic Name: 2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-N-[(2S)-octan-2-yl]ethanamide Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[(1S)-1-methylheptyl]acetamide CAS Name: 2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-N-[(2S)-octan-2-yl]acetamide IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[(2S)-octan-2-yl]acetamide Traditional Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[(1S)-1-methylheptyl]acetamide Formula: C22H36N3O2+ MolecularWeight: 374.54014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)NC(=O)C[NH+]1CCN(CC1)C2=CC=C(C=C2)C(=O)C

Isomeric SMILES

CCCCCC[C@H](C)NC(=O)C[NH+]1CCN(CC1)C2=CC=C(C=C2)C(=O)C

InChI

InChI=1S/C22H35N3O2/c1-4-5-6-7-8-18(2)23-22(27)17-24-13-15-25(16-14-24)21-11-9-20(10-12-21)19(3)26/h9-12,18H,4-8,13-17H2,1-3H3,(H,23,27)/p+1/t18-/m0/s1