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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)NC2=CC=C(C=C2)Br)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC(=O)NC2=CC=C(C=C2)Br)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H22BrN3O2/c21-16-8-10-18(11-9-16)22-19(25)14-24-12-4-5-15(13-24)20(26)23-17-6-2-1-3-7-17/h1-3,6-11,15H,4-5,12-14H2,(H,22,25)(H,23,26)/p+1/t15-/m0/s1