N-(4-bromanyl-2-methyl-phenyl)-2-(2-piperidin-1-ium-1-ylethanoylamino)ethanamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-(2-piperidin-1-ium-1-ylethanoylamino)ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[(2-piperidin-1-ium-1-ylacetyl)amino]acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]amino]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[(2-piperidin-1-ium-1-ylacetyl)amino]acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[(2-piperidin-1-ium-1-ylacetyl)amino]acetamide Formula: C16H23BrN3O2+ MolecularWeight: 369.27672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C[NH+]2CCCCC2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C[NH+]2CCCCC2

InChI

InChI=1S/C16H22BrN3O2/c1-12-9-13(17)5-6-14(12)19-15(21)10-18-16(22)11-20-7-3-2-4-8-20/h5-6,9H,2-4,7-8,10-11H2,1H3,(H,18,22)(H,19,21)/p+1