5-bromanyl-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]pyridine-3-carboxamide

Systemtic Name: 5-bromanyl-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]pyridine-3-carboxamide Openeye Name: 5-bromo-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]pyridine-3-carboxamide CAS Name: 5-bromo-N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]pyridine-3-carboxamide Traditional Name: 5-bromo-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]nicotinamide Formula: C20H25BrN3O2+ MolecularWeight: 419.3354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC(=CN=C2)Br)[NH+]3CCCCC3

InChI

InChI=1S/C20H24BrN3O2/c1-26-18-7-5-15(6-8-18)19(24-9-3-2-4-10-24)14-23-20(25)16-11-17(21)13-22-12-16/h5-8,11-13,19H,2-4,9-10,14H2,1H3,(H,23,25)/p+1/t19-/m0/s1