2-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-1-ium-1-yl]-N-(3-phenylmethoxypropyl)ethanamide

Systemtic Name: 2-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-1-ium-1-yl]-N-(3-phenylmethoxypropyl)ethanamide Openeye Name: N-(3-benzyloxypropyl)-2-[4-[2-oxo-2-(1-piperidyl)ethyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazin-1-iumyl]-N-(3-phenylmethoxypropyl)acetamide IUPAC Name: 2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-ium-1-yl]-N-(3-phenylmethoxypropyl)acetamide Traditional Name: N-(3-benzoxypropyl)-2-[4-(2-keto-2-piperidino-ethyl)piperazin-1-ium-1-yl]acetamide Formula: C23H37N4O3+ MolecularWeight: 417.56488

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CN2CC[NH+](CC2)CC(=O)NCCCOCC3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)C(=O)CN2CC[NH+](CC2)CC(=O)NCCCOCC3=CC=CC=C3

InChI

InChI=1S/C23H36N4O3/c28-22(24-10-7-17-30-20-21-8-3-1-4-9-21)18-25-13-15-26(16-14-25)19-23(29)27-11-5-2-6-12-27/h1,3-4,8-9H,2,5-7,10-20H2,(H,24,28)/p+1