4-[1-(4-octoxyphenyl)piperazin-1-ium-1-yl]benzenecarbonitrile

Systemtic Name: 4-[1-(4-octoxyphenyl)piperazin-1-ium-1-yl]benzenecarbonitrile Openeye Name: 4-[1-(4-octoxyphenyl)piperazin-1-ium-1-yl]benzonitrile CAS Name: 4-[1-(4-octoxyphenyl)-1-piperazin-1-iumyl]benzonitrile IUPAC Name: 4-[1-(4-octoxyphenyl)piperazin-1-ium-1-yl]benzonitrile Traditional Name: 4-[1-(4-octoxyphenyl)piperazin-1-ium-1-yl]benzonitrile Formula: C25H34N3O+ MolecularWeight: 392.55696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)[N+]2(CCNCC2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)[N+]2(CCNCC2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H34N3O/c1-2-3-4-5-6-7-20-29-25-14-12-24(13-15-25)28(18-16-27-17-19-28)23-10-8-22(21-26)9-11-23/h8-15,27H,2-7,16-20H2,1H3/q+1