N-(4-bromophenyl)-2-[5-methoxy-4-oxidanylidene-2-(piperidin-1-ium-1-ylmethyl)pyridin-1-yl]ethanamide

Systemtic Name: N-(4-bromophenyl)-2-[5-methoxy-4-oxidanylidene-2-(piperidin-1-ium-1-ylmethyl)pyridin-1-yl]ethanamide Openeye Name: N-(4-bromophenyl)-2-[5-methoxy-4-oxo-2-(piperidin-1-ium-1-ylmethyl)-1-pyridyl]acetamide CAS Name: N-(4-bromophenyl)-2-[5-methoxy-4-oxo-2-(1-piperidin-1-iumylmethyl)-1-pyridinyl]acetamide IUPAC Name: N-(4-bromophenyl)-2-[5-methoxy-4-oxo-2-(piperidin-1-ium-1-ylmethyl)pyridin-1-yl]acetamide Traditional Name: N-(4-bromophenyl)-2-[4-keto-5-methoxy-2-(piperidin-1-ium-1-ylmethyl)-1-pyridyl]acetamide Formula: C20H25BrN3O3+ MolecularWeight: 435.3348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(C(=CC1=O)C[NH+]2CCCCC2)CC(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CN(C(=CC1=O)C[NH+]2CCCCC2)CC(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H24BrN3O3/c1-27-19-13-24(14-20(26)22-16-7-5-15(21)6-8-16)17(11-18(19)25)12-23-9-3-2-4-10-23/h5-8,11,13H,2-4,9-10,12,14H2,1H3,(H,22,26)/p+1