(5-bromanyl-2-oxidanyl-phenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (5-bromanyl-2-oxidanyl-phenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone Openeye Name: (5-bromo-2-hydroxy-phenyl)-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methanone CAS Name: (5-bromo-2-hydroxyphenyl)-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (5-bromo-2-hydroxyphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone Traditional Name: (5-bromo-2-hydroxy-phenyl)-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methanone Formula: C20H22BrN2O2+ MolecularWeight: 402.30488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN2O2/c21-17-8-9-19(24)18(15-17)20(25)23-13-11-22(12-14-23)10-4-7-16-5-2-1-3-6-16/h1-9,15,24H,10-14H2/p+1/b7-4+