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

Systemtic Name: (3R)-1-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[2-(4-bromoanilino)-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[2-(4-bromoanilino)-2-oxoethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[2-(4-bromoanilino)-2-oxoethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[2-(4-bromoanilino)-2-keto-ethyl]piperidin-1-ium-3-carboxamide Formula: C14H19BrN3O2+ MolecularWeight: 341.22356

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)N

Isomeric SMILES

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

InChI

InChI=1S/C14H18BrN3O2/c15-11-3-5-12(6-4-11)17-13(19)9-18-7-1-2-10(8-18)14(16)20/h3-6,10H,1-2,7-9H2,(H2,16,20)(H,17,19)/p+1/t10-/m1/s1