N-[2-[2,2-bis(chloranyl)ethanoylamino]ethyl]-1-methyl-2-phenyl-quinolin-1-ium-4-carboxamide

Systemtic Name: N-[2-[2,2-bis(chloranyl)ethanoylamino]ethyl]-1-methyl-2-phenyl-quinolin-1-ium-4-carboxamide Openeye Name: N-[2-[(2,2-dichloroacetyl)amino]ethyl]-1-methyl-2-phenyl-quinolin-1-ium-4-carboxamide CAS Name: N-[2-[(2,2-dichloro-1-oxoethyl)amino]ethyl]-1-methyl-2-phenyl-4-quinolin-1-iumcarboxamide IUPAC Name: N-[2-[(2,2-dichloroacetyl)amino]ethyl]-1-methyl-2-phenylquinolin-1-ium-4-carboxamide Traditional Name: N-[2-[(2,2-dichloroacetyl)amino]ethyl]-1-methyl-2-phenyl-quinolin-1-ium-4-carboxamide Formula: C21H20Cl2N3O2+ MolecularWeight: 417.3084

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=C(C2=CC=CC=C21)C(=O)NCCNC(=O)C(Cl)Cl)C3=CC=CC=C3

Isomeric SMILES

C[N+]1=C(C=C(C2=CC=CC=C21)C(=O)NCCNC(=O)C(Cl)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H19Cl2N3O2/c1-26-17-10-6-5-9-15(17)16(13-18(26)14-7-3-2-4-8-14)20(27)24-11-12-25-21(28)19(22)23/h2-10,13,19H,11-12H2,1H3,(H-,24,25,27,28)/p+1