2-(4-chloranyl-2-methyl-phenoxy)-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-(4-chloranyl-2-methyl-phenoxy)-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(4-chloro-2-methyl-phenoxy)-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-(4-chloro-2-methylphenoxy)-N-[[4-(4-morpholin-4-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(4-chloro-2-methylphenoxy)-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(4-chloro-2-methyl-phenoxy)-N-[4-(morpholin-4-ium-4-ylmethyl)benzyl]acetamide Formula: C21H26ClN2O3+ MolecularWeight: 389.89574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCC(=O)NCC2=CC=C(C=C2)C[NH+]3CCOCC3

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCC(=O)NCC2=CC=C(C=C2)C[NH+]3CCOCC3

InChI

InChI=1S/C21H25ClN2O3/c1-16-12-19(22)6-7-20(16)27-15-21(25)23-13-17-2-4-18(5-3-17)14-24-8-10-26-11-9-24/h2-7,12H,8-11,13-15H2,1H3,(H,23,25)/p+1