N-ethyl-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)ethanamide

Systemtic Name: N-ethyl-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)ethanamide Openeye Name: N-ethyl-2-[(2R)-1-(2-naphthylmethyl)-3-oxo-piperazin-1-ium-2-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide CAS Name: N-ethyl-2-[(2R)-1-(2-naphthalenylmethyl)-3-oxo-2-piperazin-1-iumyl]-N-[2-(1-pyrrolidin-1-iumyl)ethyl]acetamide IUPAC Name: N-ethyl-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-1-ium-2-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide Traditional Name: N-ethyl-2-[(2R)-3-keto-1-(2-naphthylmethyl)piperazin-1-ium-2-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide Formula: C25H36N4O2+2 MolecularWeight: 424.57894

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC[NH+]1CCCC1)C(=O)CC2C(=O)NCC[NH+]2CC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCN(CC[NH+]1CCCC1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H34N4O2/c1-2-28(16-15-27-12-5-6-13-27)24(30)18-23-25(31)26-11-14-29(23)19-20-9-10-21-7-3-4-8-22(21)17-20/h3-4,7-10,17,23H,2,5-6,11-16,18-19H2,1H3,(H,26,31)/p+2/t23-/m1/s1