N-(4-bromanyl-2-methyl-phenyl)-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]carbamoylamino]ethanamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]carbamoylamino]ethanamide Openeye Name: 2-[(1-benzylpiperidin-1-ium-4-yl)carbamoylamino]-N-(4-bromo-2-methyl-phenyl)acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[[oxo-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]methyl]amino]acetamide IUPAC Name: 2-[(1-benzylpiperidin-1-ium-4-yl)carbamoylamino]-N-(4-bromo-2-methylphenyl)acetamide Traditional Name: 2-[(1-benzylpiperidin-1-ium-4-yl)carbamoylamino]-N-(4-bromo-2-methyl-phenyl)acetamide Formula: C22H28BrN4O2+ MolecularWeight: 460.38732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H27BrN4O2/c1-16-13-18(23)7-8-20(16)26-21(28)14-24-22(29)25-19-9-11-27(12-10-19)15-17-5-3-2-4-6-17/h2-8,13,19H,9-12,14-15H2,1H3,(H,26,28)(H2,24,25,29)/p+1