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

Systemtic Name: 3-bromanyl-4-methoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 3-bromo-4-methoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 3-bromo-4-methoxy-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 3-bromo-4-methoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 3-bromo-4-methoxy-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C20H24BrN2O2+ MolecularWeight: 404.32076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=C2C[NH+]3CCCC3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=C2C[NH+]3CCCC3)Br

InChI

InChI=1S/C20H23BrN2O2/c1-25-19-9-8-15(12-18(19)21)20(24)22-13-16-6-2-3-7-17(16)14-23-10-4-5-11-23/h2-3,6-9,12H,4-5,10-11,13-14H2,1H3,(H,22,24)/p+1