(E)-1-(4-phenethylpiperazin-4-ium-1-yl)-3-quinoxalin-2-yl-prop-2-en-1-one

Systemtic Name: (E)-1-(4-phenethylpiperazin-4-ium-1-yl)-3-quinoxalin-2-yl-prop-2-en-1-one Openeye Name: (E)-1-(4-phenethylpiperazin-4-ium-1-yl)-3-quinoxalin-2-yl-prop-2-en-1-one CAS Name: (E)-1-(4-phenethyl-1-piperazin-4-iumyl)-3-(2-quinoxalinyl)-2-propen-1-one IUPAC Name: (E)-1-(4-phenethylpiperazin-4-ium-1-yl)-3-quinoxalin-2-ylprop-2-en-1-one Traditional Name: (E)-1-(4-phenethylpiperazin-4-ium-1-yl)-3-quinoxalin-2-yl-prop-2-en-1-one Formula: C23H25N4O+ MolecularWeight: 373.4708

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)C=CC3=NC4=CC=CC=C4N=C3

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)/C=C/C3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C23H24N4O/c28-23(11-10-20-18-24-21-8-4-5-9-22(21)25-20)27-16-14-26(15-17-27)13-12-19-6-2-1-3-7-19/h1-11,18H,12-17H2/p+1/b11-10+