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

Systemtic Name: 2-[4-[(3R)-1-(3-methoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylpiperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-[(3R)-1-(3-methoxyphenyl)-5-oxo-pyrrolidine-3-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[[(3R)-1-(3-methoxyphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-[(3R)-5-keto-1-(3-methoxyphenyl)pyrrolidine-3-carbonyl]piperazin-1-ium-1-yl]acetamide Formula: C25H31N4O4+ MolecularWeight: 451.53804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CC(CC2=O)C(=O)N3CC[NH+](CC3)CC(=O)NCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)N2C[C@@H](CC2=O)C(=O)N3CC[NH+](CC3)CC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O4/c1-33-22-9-5-8-21(15-22)29-17-20(14-24(29)31)25(32)28-12-10-27(11-13-28)18-23(30)26-16-19-6-3-2-4-7-19/h2-9,15,20H,10-14,16-18H2,1H3,(H,26,30)/p+1/t20-/m1/s1