N'-(4-bromanyl-2-methyl-phenyl)-N-(3-morpholin-4-ium-4-ylpropyl)ethanediamide

Systemtic Name: N'-(4-bromanyl-2-methyl-phenyl)-N-(3-morpholin-4-ium-4-ylpropyl)ethanediamide Openeye Name: N'-(4-bromo-2-methyl-phenyl)-N-(3-morpholin-4-ium-4-ylpropyl)oxamide CAS Name: N'-(4-bromo-2-methylphenyl)-N-[3-(4-morpholin-4-iumyl)propyl]oxamide IUPAC Name: N'-(4-bromo-2-methylphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)oxamide Traditional Name: N'-(4-bromo-2-methyl-phenyl)-N-(3-morpholin-4-ium-4-ylpropyl)oxamide Formula: C16H23BrN3O3+ MolecularWeight: 385.27612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C(=O)NCCC[NH+]2CCOCC2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)C(=O)NCCC[NH+]2CCOCC2

InChI

InChI=1S/C16H22BrN3O3/c1-12-11-13(17)3-4-14(12)19-16(22)15(21)18-5-2-6-20-7-9-23-10-8-20/h3-4,11H,2,5-10H2,1H3,(H,18,21)(H,19,22)/p+1