4-[[4-[(E)-3-quinolin-8-ylprop-2-enoyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(E)-3-quinolin-8-ylprop-2-enoyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(E)-3-(8-quinolyl)prop-2-enoyl]piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(E)-1-oxo-3-(8-quinolinyl)prop-2-enyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(E)-3-quinolin-8-ylprop-2-enoyl]piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(E)-3-(8-quinolyl)acryloyl]piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C24H23N4O+ MolecularWeight: 383.46562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)C=CC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)/C=C/C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C24H22N4O/c25-17-19-6-8-20(9-7-19)18-27-13-15-28(16-14-27)23(29)11-10-22-4-1-3-21-5-2-12-26-24(21)22/h1-12H,13-16,18H2/p+1/b11-10+