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

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-(2-pyrrolidin-1-ium-1-ylethanoylamino)ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[[1-oxo-2-(1-pyrrolidin-1-iumyl)ethyl]amino]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]acetamide Formula: C15H21BrN3O2+ MolecularWeight: 355.25014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C[NH+]2CCCC2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C[NH+]2CCCC2

InChI

InChI=1S/C15H20BrN3O2/c1-11-8-12(16)4-5-13(11)18-14(20)9-17-15(21)10-19-6-2-3-7-19/h4-5,8H,2-3,6-7,9-10H2,1H3,(H,17,21)(H,18,20)/p+1