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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3)OC)Br

Isomeric SMILES

COC1=CC(=C(C(=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3)OC)Br

InChI

InChI=1S/C22H27BrN2O3/c1-27-18-12-19(21(28-2)20(23)13-18)22(26)24-14-16-6-8-17(9-7-16)15-25-10-4-3-5-11-25/h6-9,12-13H,3-5,10-11,14-15H2,1-2H3,(H,24,26)/p+1