1-[2-oxidanylidene-2-(3-phenylmethoxypropylamino)ethyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-oxidanylidene-2-(3-phenylmethoxypropylamino)ethyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-[2-(3-benzyloxypropylamino)-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-oxo-2-(3-phenylmethoxypropylamino)ethyl]-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[2-oxo-2-(3-phenylmethoxypropylamino)ethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-(3-benzoxypropylamino)-2-keto-ethyl]-N-benzyl-piperidin-1-ium-4-carboxamide Formula: C25H34N3O3+ MolecularWeight: 424.55576

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NCC2=CC=CC=C2)CC(=O)NCCCOCC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1C(=O)NCC2=CC=CC=C2)CC(=O)NCCCOCC3=CC=CC=C3

InChI

InChI=1S/C25H33N3O3/c29-24(26-14-7-17-31-20-22-10-5-2-6-11-22)19-28-15-12-23(13-16-28)25(30)27-18-21-8-3-1-4-9-21/h1-6,8-11,23H,7,12-20H2,(H,26,29)(H,27,30)/p+1