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

Systemtic Name: 2-[4-[(3R)-1-(4-methoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylpiperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: N-isopropyl-2-[4-[(3R)-1-(4-methoxyphenyl)-5-oxo-pyrrolidine-3-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[[(3R)-1-(4-methoxyphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]-1-piperazin-1-iumyl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: N-isopropyl-2-[4-[(3R)-5-keto-1-(4-methoxyphenyl)pyrrolidine-3-carbonyl]piperazin-1-ium-1-yl]acetamide Formula: C21H31N4O4+ MolecularWeight: 403.49524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)NC(=O)C[NH+]1CCN(CC1)C(=O)[C@@H]2CC(=O)N(C2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H30N4O4/c1-15(2)22-19(26)14-23-8-10-24(11-9-23)21(28)16-12-20(27)25(13-16)17-4-6-18(29-3)7-5-17/h4-7,15-16H,8-14H2,1-3H3,(H,22,26)/p+1/t16-/m1/s1