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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)COC3=CC=CC=C3C#N

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)COC3=CC=CC=C3C#N

InChI

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