2-[4-(2-bromanyl-5-methoxy-phenyl)carbonylpiperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide

Systemtic Name: 2-[4-(2-bromanyl-5-methoxy-phenyl)carbonylpiperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide Openeye Name: 2-[4-(2-bromo-5-methoxy-benzoyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide CAS Name: 2-[4-[(2-bromo-5-methoxyphenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(2-ethylphenyl)acetamide IUPAC Name: 2-[4-(2-bromo-5-methoxybenzoyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Traditional Name: 2-[4-(2-bromo-5-methoxy-benzoyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Formula: C22H27BrN3O3+ MolecularWeight: 461.37208

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=C(C=CC(=C3)OC)Br

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=C(C=CC(=C3)OC)Br

InChI

InChI=1S/C22H26BrN3O3/c1-3-16-6-4-5-7-20(16)24-21(27)15-25-10-12-26(13-11-25)22(28)18-14-17(29-2)8-9-19(18)23/h4-9,14H,3,10-13,15H2,1-2H3,(H,24,27)/p+1