2-[4-[(3R)-1-(3-ethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylpiperazin-1-ium-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-[(3R)-1-(3-ethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylpiperazin-1-ium-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-[(3R)-1-(3-ethylphenyl)-5-oxo-pyrrolidine-3-carbonyl]piperazin-1-ium-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[[(3R)-1-(3-ethylphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]-1-piperazin-1-iumyl]-N-phenylacetamide IUPAC Name: 2-[4-[(3R)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-ium-1-yl]-N-phenylacetamide Traditional Name: 2-[4-[(3R)-1-(3-ethylphenyl)-5-keto-pyrrolidine-3-carbonyl]piperazin-1-ium-1-yl]-N-phenyl-acetamide Formula: C25H31N4O3+ MolecularWeight: 435.53864

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)N2CC(CC2=O)C(=O)N3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4

Isomeric SMILES

CCC1=CC(=CC=C1)N2C[C@@H](CC2=O)C(=O)N3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O3/c1-2-19-7-6-10-22(15-19)29-17-20(16-24(29)31)25(32)28-13-11-27(12-14-28)18-23(30)26-21-8-4-3-5-9-21/h3-10,15,20H,2,11-14,16-18H2,1H3,(H,26,30)/p+1/t20-/m1/s1