4-[2-(4-phenylpiperazin-1-ium-1-yl)ethoxy]benzenecarbonitrile

Systemtic Name: 4-[2-(4-phenylpiperazin-1-ium-1-yl)ethoxy]benzenecarbonitrile Openeye Name: 4-[2-(4-phenylpiperazin-1-ium-1-yl)ethoxy]benzonitrile CAS Name: 4-[2-(4-phenyl-1-piperazin-1-iumyl)ethoxy]benzonitrile IUPAC Name: 4-[2-(4-phenylpiperazin-1-ium-1-yl)ethoxy]benzonitrile Traditional Name: 4-[2-(4-phenylpiperazin-1-ium-1-yl)ethoxy]benzonitrile Formula: C19H22N3O+ MolecularWeight: 308.39748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O/c20-16-17-6-8-19(9-7-17)23-15-14-21-10-12-22(13-11-21)18-4-2-1-3-5-18/h1-9H,10-15H2/p+1