1-[2-[[2,4-bis(bromanyl)phenyl]amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[[2,4-bis(bromanyl)phenyl]amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(2,4-dibromoanilino)-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[2-(2,4-dibromoanilino)-2-oxoethyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-(2,4-dibromoanilino)-2-oxoethyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-(2,4-dibromoanilino)-2-keto-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C20H22Br2N3O2+ MolecularWeight: 496.21558

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CC(=O)NC3=C(C=C(C=C3)Br)Br

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CC(=O)NC3=C(C=C(C=C3)Br)Br

InChI

InChI=1S/C20H21Br2N3O2/c21-15-6-7-18(17(22)12-15)24-19(26)13-25-10-8-14(9-11-25)20(27)23-16-4-2-1-3-5-16/h1-7,12,14H,8-11,13H2,(H,23,27)(H,24,26)/p+1