2-[4-[2-(2,3-dimethylphenoxy)ethanoyl]piperazin-1-yl]pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-[4-[2-(2,3-dimethylphenoxy)ethanoyl]piperazin-1-yl]pyridin-1-ium-3-carbonitrile Openeye Name: 2-[4-[2-(2,3-dimethylphenoxy)acetyl]piperazin-1-yl]pyridin-1-ium-3-carbonitrile CAS Name: 2-[4-[2-(2,3-dimethylphenoxy)-1-oxoethyl]-1-piperazinyl]-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-[4-[2-(2,3-dimethylphenoxy)acetyl]piperazin-1-yl]pyridin-1-ium-3-carbonitrile Traditional Name: 2-[4-[2-(2,3-dimethylphenoxy)acetyl]piperazino]pyridin-1-ium-3-carbonitrile Formula: C20H23N4O2+ MolecularWeight: 351.42222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCC(=O)N2CCN(CC2)C3=C(C=CC=[NH+]3)C#N)C

Isomeric SMILES

CC1=C(C(=CC=C1)OCC(=O)N2CCN(CC2)C3=C(C=CC=[NH+]3)C#N)C

InChI

InChI=1S/C20H22N4O2/c1-15-5-3-7-18(16(15)2)26-14-19(25)23-9-11-24(12-10-23)20-17(13-21)6-4-8-22-20/h3-8H,9-12,14H2,1-2H3/p+1