2-[2-(azocan-1-ium-1-yl)ethanoylamino]-N-(3-chloranyl-2-methyl-phenyl)ethanamide

Systemtic Name: 2-[2-(azocan-1-ium-1-yl)ethanoylamino]-N-(3-chloranyl-2-methyl-phenyl)ethanamide Openeye Name: 2-[[2-(azocan-1-ium-1-yl)acetyl]amino]-N-(3-chloro-2-methyl-phenyl)acetamide CAS Name: 2-[[2-(1-azocan-1-iumyl)-1-oxoethyl]amino]-N-(3-chloro-2-methylphenyl)acetamide IUPAC Name: 2-[[2-(azocan-1-ium-1-yl)acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide Traditional Name: 2-[[2-(azocan-1-ium-1-yl)acetyl]amino]-N-(3-chloro-2-methyl-phenyl)acetamide Formula: C18H27ClN3O2+ MolecularWeight: 352.87888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CNC(=O)C[NH+]2CCCCCCC2

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CNC(=O)C[NH+]2CCCCCCC2

InChI

InChI=1S/C18H26ClN3O2/c1-14-15(19)8-7-9-16(14)21-17(23)12-20-18(24)13-22-10-5-3-2-4-6-11-22/h7-9H,2-6,10-13H2,1H3,(H,20,24)(H,21,23)/p+1