4-tert-butyl-N-[(2S)-1-oxidanylidene-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propan-2-yl]benzamide

Systemtic Name: 4-tert-butyl-N-[(2S)-1-oxidanylidene-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propan-2-yl]benzamide Openeye Name: 4-tert-butyl-N-[(1S)-2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-1-methyl-2-oxo-ethyl]benzamide CAS Name: 4-tert-butyl-N-[(2S)-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]propan-2-yl]benzamide IUPAC Name: 4-tert-butyl-N-[(2S)-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propan-2-yl]benzamide Traditional Name: 4-tert-butyl-N-[(1S)-2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-keto-1-methyl-ethyl]benzamide Formula: C27H36N3O2+ MolecularWeight: 434.59364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CC=CC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)N1CC[NH+](CC1)C/C=C/C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C27H35N3O2/c1-21(28-25(31)23-12-14-24(15-13-23)27(2,3)4)26(32)30-19-17-29(18-20-30)16-8-11-22-9-6-5-7-10-22/h5-15,21H,16-20H2,1-4H3,(H,28,31)/p+1/b11-8+/t21-/m0/s1