4-bromanyl-3,5-dimethoxy-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 4-bromanyl-3,5-dimethoxy-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 4-bromo-3,5-dimethoxy-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 4-bromo-3,5-dimethoxy-N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 4-bromo-3,5-dimethoxy-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 4-bromo-3,5-dimethoxy-N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C22H28BrN2O3+ MolecularWeight: 448.37332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Br)OC)C(=O)NCC2=CC=CC=C2C[NH+]3CCCCC3

Isomeric SMILES

COC1=CC(=CC(=C1Br)OC)C(=O)NCC2=CC=CC=C2C[NH+]3CCCCC3

InChI

InChI=1S/C22H27BrN2O3/c1-27-19-12-18(13-20(28-2)21(19)23)22(26)24-14-16-8-4-5-9-17(16)15-25-10-6-3-7-11-25/h4-5,8-9,12-13H,3,6-7,10-11,14-15H2,1-2H3,(H,24,26)/p+1