2-(2-bromanyl-4,5-dimethoxy-phenyl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethanamide

Systemtic Name: 2-(2-bromanyl-4,5-dimethoxy-phenyl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethanamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(2-bromo-4,5-dimethoxy-phenyl)acetamide CAS Name: 2-(2-bromo-4,5-dimethoxyphenyl)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]acetamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(2-bromo-4,5-dimethoxyphenyl)acetamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(2-bromo-4,5-dimethoxy-phenyl)acetamide Formula: C22H28BrN2O3+ MolecularWeight: 448.37332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)Br)OC

InChI

InChI=1S/C22H27BrN2O3/c1-27-20-12-17(19(23)14-21(20)28-2)13-22(26)24-18-8-10-25(11-9-18)15-16-6-4-3-5-7-16/h3-7,12,14,18H,8-11,13,15H2,1-2H3,(H,24,26)/p+1