2-[4-[(3-bromanyl-5-ethoxy-4-prop-2-enoxy-phenyl)methyl]piperazin-1-ium-1-yl]-N-tert-butyl-ethanamide

Systemtic Name: 2-[4-[(3-bromanyl-5-ethoxy-4-prop-2-enoxy-phenyl)methyl]piperazin-1-ium-1-yl]-N-tert-butyl-ethanamide Openeye Name: 2-[4-[(4-allyloxy-3-bromo-5-ethoxy-phenyl)methyl]piperazin-1-ium-1-yl]-N-tert-butyl-acetamide CAS Name: 2-[4-[(3-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methyl]-1-piperazin-1-iumyl]-N-tert-butylacetamide IUPAC Name: 2-[4-[(3-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methyl]piperazin-1-ium-1-yl]-N-tert-butylacetamide Traditional Name: 2-[4-(4-allyloxy-3-bromo-5-ethoxy-benzyl)piperazin-1-ium-1-yl]-N-tert-butyl-acetamide Formula: C22H35BrN3O3+ MolecularWeight: 469.4356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CN2CC[NH+](CC2)CC(=O)NC(C)(C)C)Br)OCC=C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CN2CC[NH+](CC2)CC(=O)NC(C)(C)C)Br)OCC=C

InChI

InChI=1S/C22H34BrN3O3/c1-6-12-29-21-18(23)13-17(14-19(21)28-7-2)15-25-8-10-26(11-9-25)16-20(27)24-22(3,4)5/h6,13-14H,1,7-12,15-16H2,2-5H3,(H,24,27)/p+1