N-(1,3-benzodioxol-5-yl)-1-[2-oxidanylidene-2-[(4-phenylphenyl)amino]ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[2-oxidanylidene-2-[(4-phenylphenyl)amino]ethyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[2-oxo-2-(4-phenylanilino)ethyl]piperidin-1-ium-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[2-oxo-2-(4-phenylanilino)ethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[2-oxo-2-(4-phenylanilino)ethyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[2-keto-2-(4-phenylanilino)ethyl]piperidin-1-ium-4-carboxamide Formula: C27H28N3O4+ MolecularWeight: 458.52892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC3=C(C=C2)OCO3)CC(=O)NC4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC3=C(C=C2)OCO3)CC(=O)NC4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H27N3O4/c31-26(28-22-8-6-20(7-9-22)19-4-2-1-3-5-19)17-30-14-12-21(13-15-30)27(32)29-23-10-11-24-25(16-23)34-18-33-24/h1-11,16,21H,12-15,17-18H2,(H,28,31)(H,29,32)/p+1