N-methyl-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]-2-oxidanyl-2-phenyl-2-thiophen-2-yl-ethanamide bromide

Systemtic Name: N-methyl-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]-2-oxidanyl-2-phenyl-2-thiophen-2-yl-ethanamide bromide Openeye Name: 2-hydroxy-N-methyl-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]-2-phenyl-2-(2-thienyl)acetamide bromide CAS Name: 2-hydroxy-N-methyl-N-[2-(1-methyl-1-piperidin-1-iumyl)ethyl]-2-phenyl-2-thiophen-2-ylacetamide bromide IUPAC Name: 2-hydroxy-N-methyl-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]-2-phenyl-2-thiophen-2-ylacetamide bromide Traditional Name: 2-hydroxy-N-methyl-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]-2-phenyl-2-(2-thienyl)acetamide bromide Formula: C21H29BrN2O2S MolecularWeight: 453.43616

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC[N+]1(CCCCC1)C)C(=O)C(C2=CC=CC=C2)(C3=CC=CS3)O.[Br-]

Isomeric SMILES

CN(CC[N+]1(CCCCC1)C)C(=O)C(C2=CC=CC=C2)(C3=CC=CS3)O.[Br-]

InChI

InChI=1S/C21H29N2O2S.BrH/c1-22(13-16-23(2)14-7-4-8-15-23)20(24)21(25,19-12-9-17-26-19)18-10-5-3-6-11-18;/h3,5-6,9-12,17,25H,4,7-8,13-16H2,1-2H3;1H/q+1;/p-1