1-[2-oxidanylidene-2-[(4-phenoxyphenyl)amino]ethyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-oxidanylidene-2-[(4-phenoxyphenyl)amino]ethyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-oxo-2-(4-phenoxyanilino)ethyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide CAS Name: 1-[2-oxo-2-(4-phenoxyanilino)ethyl]-4-(1-piperidin-1-iumyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-oxo-2-(4-phenoxyanilino)ethyl]-4-piperidin-1-ium-1-ylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-keto-2-(4-phenoxyanilino)ethyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide Formula: C25H34N4O3+2 MolecularWeight: 438.56246

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1CC[NH+](CC1)C2(CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C25H32N4O3/c26-24(31)25(29-15-5-2-6-16-29)13-17-28(18-14-25)19-23(30)27-20-9-11-22(12-10-20)32-21-7-3-1-4-8-21/h1,3-4,7-12H,2,5-6,13-19H2,(H2,26,31)(H,27,30)/p+2