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

Systemtic Name: 4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]benzonitrile CAS Name: 4-[oxo-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]methyl]benzonitrile IUPAC Name: 4-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]benzonitrile Traditional Name: 4-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]benzonitrile Formula: C20H22N3O2+ MolecularWeight: 336.40758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O2/c21-16-17-6-8-18(9-7-17)20(24)23-12-10-22(11-13-23)14-15-25-19-4-2-1-3-5-19/h1-9H,10-15H2/p+1