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

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-(4-morpholin-4-ylcarbonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[4-[4-morpholinyl(oxo)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C18H26BrN4O3+ MolecularWeight: 426.32804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C[NH+]2CCN(CC2)C(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)C[NH+]2CCN(CC2)C(=O)N3CCOCC3

InChI

InChI=1S/C18H25BrN4O3/c1-14-12-15(19)2-3-16(14)20-17(24)13-21-4-6-22(7-5-21)18(25)23-8-10-26-11-9-23/h2-3,12H,4-11,13H2,1H3,(H,20,24)/p+1