pyridin-1-ium-3-ylmethyl-[2,2,2-tris(chloranyl)-1-[(4-methylphenyl)carbonylamino]ethyl]azanium

Systemtic Name: pyridin-1-ium-3-ylmethyl-[2,2,2-tris(chloranyl)-1-[(4-methylphenyl)carbonylamino]ethyl]azanium Openeye Name: pyridin-1-ium-3-ylmethyl-[2,2,2-trichloro-1-[(4-methylbenzoyl)amino]ethyl]ammonium CAS Name: 3-pyridin-1-iumylmethyl-[2,2,2-trichloro-1-[[(4-methylphenyl)-oxomethyl]amino]ethyl]ammonium IUPAC Name: pyridin-1-ium-3-ylmethyl-[2,2,2-trichloro-1-[(4-methylbenzoyl)amino]ethyl]azanium Traditional Name: pyridin-1-ium-3-ylmethyl-[2,2,2-trichloro-1-(p-toluoylamino)ethyl]ammonium Formula: C16H18Cl3N3O+2 MolecularWeight: 374.69262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)[NH2+]CC2=C[NH+]=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)[NH2+]CC2=C[NH+]=CC=C2

InChI

InChI=1S/C16H16Cl3N3O/c1-11-4-6-13(7-5-11)14(23)22-15(16(17,18)19)21-10-12-3-2-8-20-9-12/h2-9,15,21H,10H2,1H3,(H,22,23)/p+2