2-[2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile

Systemtic Name: 2-[2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 2-[2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethoxy]benzonitrile CAS Name: 2-[2-[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethoxy]benzonitrile IUPAC Name: 2-[2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethoxy]benzonitrile Traditional Name: 2-[2-[4-(2,5-dimethoxybenzyl)piperazin-4-ium-1-yl]-2-keto-ethoxy]benzonitrile Formula: C22H26N3O4+ MolecularWeight: 396.45954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=O)COC3=CC=CC=C3C#N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=O)COC3=CC=CC=C3C#N

InChI

InChI=1S/C22H25N3O4/c1-27-19-7-8-20(28-2)18(13-19)15-24-9-11-25(12-10-24)22(26)16-29-21-6-4-3-5-17(21)14-23/h3-8,13H,9-12,15-16H2,1-2H3/p+1