2-(4-chloranyl-3-methyl-phenoxy)-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]ethanamide

Systemtic Name: 2-(4-chloranyl-3-methyl-phenoxy)-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]ethanamide Openeye Name: 2-(4-chloro-3-methyl-phenoxy)-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]acetamide CAS Name: 2-(4-chloro-3-methylphenoxy)-N-[4-(1-piperidin-1-iumylmethyl)phenyl]acetamide IUPAC Name: 2-(4-chloro-3-methylphenoxy)-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]acetamide Traditional Name: 2-(4-chloro-3-methyl-phenoxy)-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]acetamide Formula: C21H26ClN2O2+ MolecularWeight: 373.89634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)NC2=CC=C(C=C2)C[NH+]3CCCCC3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)NC2=CC=C(C=C2)C[NH+]3CCCCC3)Cl

InChI

InChI=1S/C21H25ClN2O2/c1-16-13-19(9-10-20(16)22)26-15-21(25)23-18-7-5-17(6-8-18)14-24-11-3-2-4-12-24/h5-10,13H,2-4,11-12,14-15H2,1H3,(H,23,25)/p+1