1-[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(3-bromoanilino)-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[2-(3-bromoanilino)-2-oxoethyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-(3-bromoanilino)-2-oxoethyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-(3-bromoanilino)-2-keto-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C20H23BrN3O2+ MolecularWeight: 417.31952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrN3O2/c21-16-5-4-8-18(13-16)22-19(25)14-24-11-9-15(10-12-24)20(26)23-17-6-2-1-3-7-17/h1-8,13,15H,9-12,14H2,(H,22,25)(H,23,26)/p+1