N-[(2S)-2-phenylbutyl]-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(2S)-2-phenylbutyl]-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2S)-2-phenylbutyl]acetamide CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)-N-[(2S)-2-phenylbutyl]acetamide IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2S)-2-phenylbutyl]acetamide Traditional Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2S)-2-phenylbutyl]acetamide Formula: C23H30N3O2+ MolecularWeight: 380.5032

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](CNC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H29N3O2/c1-2-19(20-9-5-3-6-10-20)17-24-22(27)18-25-13-15-26(16-14-25)23(28)21-11-7-4-8-12-21/h3-12,19H,2,13-18H2,1H3,(H,24,27)/p+1/t19-/m1/s1