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

Systemtic Name: 3-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]propanamide Openeye Name: 3-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide CAS Name: 3-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-N-[4-(2-oxo-1-pyrrolidinyl)phenyl]propanamide IUPAC Name: 3-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide Traditional Name: 3-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-[4-(2-ketopyrrolidino)phenyl]propionamide Formula: C25H33N4O2+ MolecularWeight: 421.55512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CCC(=O)NC3=CC=C(C=C3)N4CCCC4=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CCC(=O)NC3=CC=C(C=C3)N4CCCC4=O)C

InChI

InChI=1S/C25H32N4O2/c1-19-5-3-6-23(20(19)2)28-17-15-27(16-18-28)14-12-24(30)26-21-8-10-22(11-9-21)29-13-4-7-25(29)31/h3,5-6,8-11H,4,7,12-18H2,1-2H3,(H,26,30)/p+1