N-(4-bromanyl-2-methyl-phenyl)-2-(4-phenethylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-(4-phenethylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-(4-phenethylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-(4-phenethyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-(4-phenethylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-(4-phenethylpiperazin-1-ium-1-yl)acetamide Formula: C21H27BrN3O+ MolecularWeight: 417.36258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C[NH+]2CCN(CC2)CCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)C[NH+]2CCN(CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C21H26BrN3O/c1-17-15-19(22)7-8-20(17)23-21(26)16-25-13-11-24(12-14-25)10-9-18-5-3-2-4-6-18/h2-8,15H,9-14,16H2,1H3,(H,23,26)/p+1