2-[(2R)-3-oxidanylidene-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)ethanamide

Systemtic Name: 2-[(2R)-3-oxidanylidene-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)ethanamide Openeye Name: 2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide CAS Name: 2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]-2-piperazin-1-iumyl]-N-[2-(1-pyrrolidin-1-iumyl)ethyl]acetamide IUPAC Name: 2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide Traditional Name: 2-[(2R)-3-keto-1-(3-phenoxybenzyl)piperazin-1-ium-2-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide Formula: C25H34N4O3+2 MolecularWeight: 438.56246

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCNC(=O)CC2C(=O)NCC[NH+]2CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)CCNC(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H32N4O3/c30-24(26-11-15-28-13-4-5-14-28)18-23-25(31)27-12-16-29(23)19-20-7-6-10-22(17-20)32-21-8-2-1-3-9-21/h1-3,6-10,17,23H,4-5,11-16,18-19H2,(H,26,30)(H,27,31)/p+2/t23-/m1/s1