1-[(2S)-1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2S)-1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-[(1S)-2-(4-bromoanilino)-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2S)-1-(4-bromoanilino)-1-oxopropan-2-yl]-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[(2S)-1-(4-bromoanilino)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-1-[(1S)-2-(4-bromoanilino)-2-keto-1-methyl-ethyl]piperidin-1-ium-4-carboxamide Formula: C22H27BrN3O2+ MolecularWeight: 445.37268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)Br)[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H26BrN3O2/c1-16(21(27)25-20-9-7-19(23)8-10-20)26-13-11-18(12-14-26)22(28)24-15-17-5-3-2-4-6-17/h2-10,16,18H,11-15H2,1H3,(H,24,28)(H,25,27)/p+1/t16-/m0/s1