4-chloranyl-N-[3-oxidanylidene-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propyl]benzamide

Systemtic Name: 4-chloranyl-N-[3-oxidanylidene-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propyl]benzamide Openeye Name: 4-chloro-N-[3-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-3-oxo-propyl]benzamide CAS Name: 4-chloro-N-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]propyl]benzamide IUPAC Name: 4-chloro-N-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propyl]benzamide Traditional Name: 4-chloro-N-[3-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-3-keto-propyl]benzamide Formula: C23H27ClN3O2+ MolecularWeight: 412.93238

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)CCNC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=O)CCNC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H26ClN3O2/c24-21-10-8-20(9-11-21)23(29)25-13-12-22(28)27-17-15-26(16-18-27)14-4-7-19-5-2-1-3-6-19/h1-11H,12-18H2,(H,25,29)/p+1/b7-4+