2-(3-fluoranyl-4-methoxy-phenyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-(3-fluoranyl-4-methoxy-phenyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(3-fluoro-4-methoxy-phenyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-(3-fluoro-4-methoxyphenyl)-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(3-fluoro-4-methoxyphenyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(3-fluoro-4-methoxy-phenyl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]acetamide Formula: C21H26FN2O2+ MolecularWeight: 357.441743

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3)F

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3)F

InChI

InChI=1S/C21H25FN2O2/c1-26-20-9-8-18(12-19(20)22)13-21(25)23-14-16-4-6-17(7-5-16)15-24-10-2-3-11-24/h4-9,12H,2-3,10-11,13-15H2,1H3,(H,23,25)/p+1