pyridin-1-ium-3-ylmethyl-[2,2,2-tris(chloranyl)-1-(2-methylpropanoylamino)ethyl]azanium

Systemtic Name: pyridin-1-ium-3-ylmethyl-[2,2,2-tris(chloranyl)-1-(2-methylpropanoylamino)ethyl]azanium Openeye Name: pyridin-1-ium-3-ylmethyl-[2,2,2-trichloro-1-(2-methylpropanoylamino)ethyl]ammonium CAS Name: 3-pyridin-1-iumylmethyl-[2,2,2-trichloro-1-[(2-methyl-1-oxopropyl)amino]ethyl]ammonium IUPAC Name: pyridin-1-ium-3-ylmethyl-[2,2,2-trichloro-1-(2-methylpropanoylamino)ethyl]azanium Traditional Name: pyridin-1-ium-3-ylmethyl-[2,2,2-trichloro-1-(isobutyrylamino)ethyl]ammonium Formula: C12H18Cl3N3O+2 MolecularWeight: 326.64982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16Cl3N3O/c1-8(2)10(19)18-11(12(13,14)15)17-7-9-4-3-5-16-6-9/h3-6,8,11,17H,7H2,1-2H3,(H,18,19)/p+2