N-(2,3-dimethylphenyl)-2-[4-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-[oxo-[4-(2-oxo-1-pyrrolidinyl)phenyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[4-[4-(2-ketopyrrolidino)benzoyl]piperazin-1-ium-1-yl]acetamide Formula: C25H31N4O3+ MolecularWeight: 435.53864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)N4CCCC4=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)N4CCCC4=O)C

InChI

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