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

Systemtic Name: 4-[2-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 4-[2-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethoxy]benzonitrile CAS Name: 4-[2-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethoxy]benzonitrile IUPAC Name: 4-[2-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethoxy]benzonitrile Traditional Name: 4-[2-keto-2-(4-p-anisylpiperazin-4-ium-1-yl)ethoxy]benzonitrile Formula: C21H24N3O3+ MolecularWeight: 366.43356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)COC3=CC=C(C=C3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)COC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H23N3O3/c1-26-19-6-4-18(5-7-19)15-23-10-12-24(13-11-23)21(25)16-27-20-8-2-17(14-22)3-9-20/h2-9H,10-13,15-16H2,1H3/p+1