N-[1-[2-(3,5-dimethylphenoxy)ethyl]piperidin-1-ium-4-yl]benzamide

Systemtic Name: N-[1-[2-(3,5-dimethylphenoxy)ethyl]piperidin-1-ium-4-yl]benzamide Openeye Name: N-[1-[2-(3,5-dimethylphenoxy)ethyl]piperidin-1-ium-4-yl]benzamide CAS Name: N-[1-[2-(3,5-dimethylphenoxy)ethyl]-4-piperidin-1-iumyl]benzamide IUPAC Name: N-[1-[2-(3,5-dimethylphenoxy)ethyl]piperidin-1-ium-4-yl]benzamide Traditional Name: N-[1-[2-(3,5-dimethylphenoxy)ethyl]piperidin-1-ium-4-yl]benzamide Formula: C22H29N2O2+ MolecularWeight: 353.47786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC[NH+]2CCC(CC2)NC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC[NH+]2CCC(CC2)NC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C22H28N2O2/c1-17-14-18(2)16-21(15-17)26-13-12-24-10-8-20(9-11-24)23-22(25)19-6-4-3-5-7-19/h3-7,14-16,20H,8-13H2,1-2H3,(H,23,25)/p+1