(E)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-3-quinoxalin-2-yl-prop-2-en-1-one

Systemtic Name: (E)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-3-quinoxalin-2-yl-prop-2-en-1-one Openeye Name: (E)-1-(4-benzylpiperazin-4-ium-1-yl)-3-quinoxalin-2-yl-prop-2-en-1-one CAS Name: (E)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-3-(2-quinoxalinyl)-2-propen-1-one IUPAC Name: (E)-1-(4-benzylpiperazin-4-ium-1-yl)-3-quinoxalin-2-ylprop-2-en-1-one Traditional Name: (E)-1-(4-benzylpiperazin-4-ium-1-yl)-3-quinoxalin-2-yl-prop-2-en-1-one Formula: C22H23N4O+ MolecularWeight: 359.44422

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C=CC3=NC4=CC=CC=C4N=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)/C=C/C3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C22H22N4O/c27-22(11-10-19-16-23-20-8-4-5-9-21(20)24-19)26-14-12-25(13-15-26)17-18-6-2-1-3-7-18/h1-11,16H,12-15,17H2/p+1/b11-10+