2-(2-chloranyl-5-methyl-phenoxy)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-(2-chloranyl-5-methyl-phenoxy)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(2-chloro-5-methyl-phenoxy)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-(2-chloro-5-methylphenoxy)-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(2-chloro-5-methylphenoxy)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(2-chloro-5-methyl-phenoxy)-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]acetamide Formula: C21H26ClN2O2+ MolecularWeight: 373.89634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)OCC(=O)NCC2=CC=CC=C2C[NH+]3CCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)OCC(=O)NCC2=CC=CC=C2C[NH+]3CCCC3

InChI

InChI=1S/C21H25ClN2O2/c1-16-8-9-19(22)20(12-16)26-15-21(25)23-13-17-6-2-3-7-18(17)14-24-10-4-5-11-24/h2-3,6-9,12H,4-5,10-11,13-15H2,1H3,(H,23,25)/p+1