2-(5-chloranyl-2-methoxy-phenyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-(5-chloranyl-2-methoxy-phenyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(5-chloro-2-methoxy-phenyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-(5-chloro-2-methoxyphenyl)-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(5-chloro-2-methoxyphenyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(5-chloro-2-methoxy-phenyl)-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]acetamide Formula: C22H28ClN2O2+ MolecularWeight: 387.92292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)CC(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)CC(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C22H27ClN2O2/c1-27-21-10-9-20(23)13-19(21)14-22(26)24-15-17-5-7-18(8-6-17)16-25-11-3-2-4-12-25/h5-10,13H,2-4,11-12,14-16H2,1H3,(H,24,26)/p+1