2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]-N-(3-propan-2-ylphenyl)ethanamide

Systemtic Name: 2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]-N-(3-propan-2-ylphenyl)ethanamide Openeye Name: N-(3-isopropylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]acetamide CAS Name: 2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]-N-(3-propan-2-ylphenyl)acetamide IUPAC Name: 2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]-N-(3-propan-2-ylphenyl)acetamide Traditional Name: 2-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]-N-m-cumenyl-acetamide Formula: C21H33N4O2+ MolecularWeight: 373.51232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC=C1)NC(=O)CN2CC[NH+](CC2)CC(=O)N3CCCC3

Isomeric SMILES

CC(C)C1=CC(=CC=C1)NC(=O)CN2CC[NH+](CC2)CC(=O)N3CCCC3

InChI

InChI=1S/C21H32N4O2/c1-17(2)18-6-5-7-19(14-18)22-20(26)15-23-10-12-24(13-11-23)16-21(27)25-8-3-4-9-25/h5-7,14,17H,3-4,8-13,15-16H2,1-2H3,(H,22,26)/p+1