N-[(1R)-1,4-diphenylbutyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[(1R)-1,4-diphenylbutyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[(1R)-1,4-diphenylbutyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[(1R)-1,4-diphenylbutyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[(1R)-1,4-diphenylbutyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-[(1R)-1,4-diphenylbutyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C22H22N2O2 MolecularWeight: 346.42228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(C2=CC=CC=C2)NC(=O)C3=C[N+](=CC=C3)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCC[C@H](C2=CC=CC=C2)NC(=O)C3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C22H22N2O2/c25-22(20-14-8-16-24(26)17-20)23-21(19-12-5-2-6-13-19)15-7-11-18-9-3-1-4-10-18/h1-6,8-10,12-14,16-17,21H,7,11,15H2,(H,23,25)/t21-/m1/s1