(phenylmethyl)-[2,2,2-tris(chloranyl)-1-(hexanoylamino)ethyl]azanium

Systemtic Name: (phenylmethyl)-[2,2,2-tris(chloranyl)-1-(hexanoylamino)ethyl]azanium Openeye Name: benzyl-[2,2,2-trichloro-1-(hexanoylamino)ethyl]ammonium CAS Name: (phenylmethyl)-[2,2,2-trichloro-1-(1-oxohexylamino)ethyl]ammonium IUPAC Name: benzyl-[2,2,2-trichloro-1-(hexanoylamino)ethyl]azanium Traditional Name: benzyl-[1-(caproylamino)-2,2,2-trichloro-ethyl]ammonium Formula: C15H22Cl3N2O+ MolecularWeight: 352.70698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(C(Cl)(Cl)Cl)[NH2+]CC1=CC=CC=C1

Isomeric SMILES

CCCCCC(=O)NC(C(Cl)(Cl)Cl)[NH2+]CC1=CC=CC=C1

InChI

InChI=1S/C15H21Cl3N2O/c1-2-3-5-10-13(21)20-14(15(16,17)18)19-11-12-8-6-4-7-9-12/h4,6-9,14,19H,2-3,5,10-11H2,1H3,(H,20,21)/p+1