N-[(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]benzamide

Systemtic Name: N-[(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]benzamide Openeye Name: N-[(1S)-1-benzyl-2-(4-ethylpiperazin-4-ium-1-yl)-2-oxo-ethyl]benzamide CAS Name: N-[(2S)-1-(4-ethyl-1-piperazin-4-iumyl)-1-oxo-3-phenylpropan-2-yl]benzamide IUPAC Name: N-[(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide Traditional Name: N-[(1S)-1-benzyl-2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-ethyl]benzamide Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2/c1-2-24-13-15-25(16-14-24)22(27)20(17-18-9-5-3-6-10-18)23-21(26)19-11-7-4-8-12-19/h3-12,20H,2,13-17H2,1H3,(H,23,26)/p+1/t20-/m0/s1