4-[[4-(2-hydroxyphenyl)carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(2-hydroxyphenyl)carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-hydroxybenzoyl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(2-hydroxyphenyl)-oxomethyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2-hydroxybenzoyl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[(4-salicyloylpiperazin-1-ium-1-yl)methyl]benzonitrile Formula: C19H20N3O2+ MolecularWeight: 322.381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)C3=CC=CC=C3O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)C3=CC=CC=C3O

InChI

InChI=1S/C19H19N3O2/c20-13-15-5-7-16(8-6-15)14-21-9-11-22(12-10-21)19(24)17-3-1-2-4-18(17)23/h1-8,23H,9-12,14H2/p+1