N-[4-(4-methylphenoxy)phenyl]-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethanamide

Systemtic Name: N-[4-(4-methylphenoxy)phenyl]-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethanamide Openeye Name: N-[4-(4-methylphenoxy)phenyl]-2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]acetamide CAS Name: N-[4-(4-methylphenoxy)phenyl]-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]acetamide IUPAC Name: N-[4-(4-methylphenoxy)phenyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]acetamide Traditional Name: 2-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]-N-[4-(4-methylphenoxy)phenyl]acetamide Formula: C25H33N4O3+ MolecularWeight: 437.55452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CN3CC[NH+](CC3)CC(=O)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CN3CC[NH+](CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C25H32N4O3/c1-20-4-8-22(9-5-20)32-23-10-6-21(7-11-23)26-24(30)18-27-14-16-28(17-15-27)19-25(31)29-12-2-3-13-29/h4-11H,2-3,12-19H2,1H3,(H,26,30)/p+1