prop-2-enyl-[(1S)-2,2,2-tris(chloranyl)-1-[(3-methylphenyl)carbonylamino]ethyl]azanium

Systemtic Name: prop-2-enyl-[(1S)-2,2,2-tris(chloranyl)-1-[(3-methylphenyl)carbonylamino]ethyl]azanium Openeye Name: allyl-[(1S)-2,2,2-trichloro-1-[(3-methylbenzoyl)amino]ethyl]ammonium CAS Name: prop-2-enyl-[(1S)-2,2,2-trichloro-1-[[(3-methylphenyl)-oxomethyl]amino]ethyl]ammonium IUPAC Name: prop-2-enyl-[(1S)-2,2,2-trichloro-1-[(3-methylbenzoyl)amino]ethyl]azanium Traditional Name: allyl-[(1S)-2,2,2-trichloro-1-(m-toluoylamino)ethyl]ammonium Formula: C13H16Cl3N2O+ MolecularWeight: 322.63794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@H](C(Cl)(Cl)Cl)[NH2+]CC=C

InChI

InChI=1S/C13H15Cl3N2O/c1-3-7-17-12(13(14,15)16)18-11(19)10-6-4-5-9(2)8-10/h3-6,8,12,17H,1,7H2,2H3,(H,18,19)/p+1/t12-/m1/s1