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

Systemtic Name: N-[(2S)-1-(4-methylpiperazin-4-ium-1-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]benzamide Openeye Name: N-[(1S)-1-benzyl-2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]benzamide CAS Name: N-[(2S)-1-(4-methyl-1-piperazin-4-iumyl)-1-oxo-3-phenylpropan-2-yl]benzamide IUPAC Name: N-[(2S)-1-(4-methylpiperazin-4-ium-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide Traditional Name: N-[(1S)-1-benzyl-2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]benzamide Formula: C21H26N3O2+ MolecularWeight: 352.45004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2/c1-23-12-14-24(15-13-23)21(26)19(16-17-8-4-2-5-9-17)22-20(25)18-10-6-3-7-11-18/h2-11,19H,12-16H2,1H3,(H,22,25)/p+1/t19-/m0/s1