(3R)-1-(3-ethylphenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: (3R)-1-(3-ethylphenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3R)-1-(3-ethylphenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3R)-1-(3-ethylphenyl)-N-[2-(4-ethyl-1-piperazin-4-iumyl)phenyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3R)-1-(3-ethylphenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide Traditional Name: (3R)-1-(3-ethylphenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-5-keto-pyrrolidine-3-carboxamide Formula: C25H33N4O2+ MolecularWeight: 421.55512

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)N2CC(CC2=O)C(=O)NC3=CC=CC=C3N4CC[NH+](CC4)CC

Isomeric SMILES

CCC1=CC(=CC=C1)N2C[C@@H](CC2=O)C(=O)NC3=CC=CC=C3N4CC[NH+](CC4)CC

InChI

InChI=1S/C25H32N4O2/c1-3-19-8-7-9-21(16-19)29-18-20(17-24(29)30)25(31)26-22-10-5-6-11-23(22)28-14-12-27(4-2)13-15-28/h5-11,16,20H,3-4,12-15,17-18H2,1-2H3,(H,26,31)/p+1/t20-/m1/s1