N-[[(3R)-1-(1-oxidanidylpyridin-1-ium-4-yl)carbonylpiperidin-3-yl]methyl]-4-phenyl-benzamide

Systemtic Name: N-[[(3R)-1-(1-oxidanidylpyridin-1-ium-4-yl)carbonylpiperidin-3-yl]methyl]-4-phenyl-benzamide Openeye Name: N-[[(3R)-1-(1-oxidopyridin-1-ium-4-carbonyl)-3-piperidyl]methyl]-4-phenyl-benzamide CAS Name: N-[[(3R)-1-[(1-oxido-4-pyridin-1-iumyl)-oxomethyl]-3-piperidinyl]methyl]-4-phenylbenzamide IUPAC Name: N-[[(3R)-1-(1-oxidopyridin-1-ium-4-carbonyl)piperidin-3-yl]methyl]-4-phenylbenzamide Traditional Name: N-[[(3R)-1-(1-oxidopyridin-1-ium-4-carbonyl)-3-piperidyl]methyl]-4-phenyl-benzamide Formula: C25H25N3O3 MolecularWeight: 415.4843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=[N+](C=C2)[O-])CNC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC=[N+](C=C2)[O-])CNC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H25N3O3/c29-24(22-10-8-21(9-11-22)20-6-2-1-3-7-20)26-17-19-5-4-14-27(18-19)25(30)23-12-15-28(31)16-13-23/h1-3,6-13,15-16,19H,4-5,14,17-18H2,(H,26,29)/t19-/m1/s1