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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3)C

InChI

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