2-[2-(azocan-1-ium-1-yl)ethanoylamino]-N-(4-bromanyl-2-methyl-phenyl)ethanamide

Systemtic Name: 2-[2-(azocan-1-ium-1-yl)ethanoylamino]-N-(4-bromanyl-2-methyl-phenyl)ethanamide Openeye Name: 2-[[2-(azocan-1-ium-1-yl)acetyl]amino]-N-(4-bromo-2-methyl-phenyl)acetamide CAS Name: 2-[[2-(1-azocan-1-iumyl)-1-oxoethyl]amino]-N-(4-bromo-2-methylphenyl)acetamide IUPAC Name: 2-[[2-(azocan-1-ium-1-yl)acetyl]amino]-N-(4-bromo-2-methylphenyl)acetamide Traditional Name: 2-[[2-(azocan-1-ium-1-yl)acetyl]amino]-N-(4-bromo-2-methyl-phenyl)acetamide Formula: C18H27BrN3O2+ MolecularWeight: 397.32988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C[NH+]2CCCCCCC2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C[NH+]2CCCCCCC2

InChI

InChI=1S/C18H26BrN3O2/c1-14-11-15(19)7-8-16(14)21-17(23)12-20-18(24)13-22-9-5-3-2-4-6-10-22/h7-8,11H,2-6,9-10,12-13H2,1H3,(H,20,24)(H,21,23)/p+1