2-[2-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]carbonylphenyl]benzenecarbonitrile

Systemtic Name: 2-[2-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]carbonylphenyl]benzenecarbonitrile Openeye Name: 2-[2-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]phenyl]benzonitrile CAS Name: 2-[2-[oxo-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[2-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]phenyl]benzonitrile Traditional Name: 2-[2-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]phenyl]benzonitrile Formula: C26H26N3O2+ MolecularWeight: 412.50354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)C3=CC=CC=C3C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)C3=CC=CC=C3C4=CC=CC=C4C#N

InChI

InChI=1S/C26H25N3O2/c27-20-21-8-4-5-11-23(21)24-12-6-7-13-25(24)26(30)29-16-14-28(15-17-29)18-19-31-22-9-2-1-3-10-22/h1-13H,14-19H2/p+1