4-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethoxy]benzenecarbonitrile

Systemtic Name: 4-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethoxy]benzenecarbonitrile Openeye Name: 4-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethoxy]benzonitrile CAS Name: 4-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethoxy]benzonitrile IUPAC Name: 4-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethoxy]benzonitrile Traditional Name: 4-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethoxy]benzonitrile Formula: C20H22N3O2+ MolecularWeight: 336.40758

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)COC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)COC3=CC=C(C=C3)C#N

InChI

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