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

Systemtic Name: 4-[2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 4-[2-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethoxy]benzonitrile CAS Name: 4-[2-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethoxy]benzonitrile IUPAC Name: 4-[2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethoxy]benzonitrile Traditional Name: 4-[2-keto-2-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]ethoxy]benzonitrile Formula: C21H24N3O2+ MolecularWeight: 350.43416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)COC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)COC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H23N3O2/c1-17-4-2-3-5-19(17)15-23-10-12-24(13-11-23)21(25)16-26-20-8-6-18(14-22)7-9-20/h2-9H,10-13,15-16H2,1H3/p+1