4-[(3,4-dimethylphenoxy)methyl]-N-(pyridin-1-ium-3-ylmethyl)benzamide

Systemtic Name: 4-[(3,4-dimethylphenoxy)methyl]-N-(pyridin-1-ium-3-ylmethyl)benzamide Openeye Name: 4-[(3,4-dimethylphenoxy)methyl]-N-(pyridin-1-ium-3-ylmethyl)benzamide CAS Name: 4-[(3,4-dimethylphenoxy)methyl]-N-(3-pyridin-1-iumylmethyl)benzamide IUPAC Name: 4-[(3,4-dimethylphenoxy)methyl]-N-(pyridin-1-ium-3-ylmethyl)benzamide Traditional Name: 4-[(3,4-dimethylphenoxy)methyl]-N-(pyridin-1-ium-3-ylmethyl)benzamide Formula: C22H23N2O2+ MolecularWeight: 347.43022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC2=CC=C(C=C2)C(=O)NCC3=C[NH+]=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC2=CC=C(C=C2)C(=O)NCC3=C[NH+]=CC=C3)C

InChI

InChI=1S/C22H22N2O2/c1-16-5-10-21(12-17(16)2)26-15-18-6-8-20(9-7-18)22(25)24-14-19-4-3-11-23-13-19/h3-13H,14-15H2,1-2H3,(H,24,25)/p+1