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

Systemtic Name: (3S)-1-(4-ethylphenyl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3S)-1-(4-ethylphenyl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3S)-1-(4-ethylphenyl)-N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3S)-1-(4-ethylphenyl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide Traditional Name: (3S)-1-(4-ethylphenyl)-N-[4-(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=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)N4CC[NH+](CC4)CC

Isomeric SMILES

CCC1=CC=C(C=C1)N2C[C@H](CC2=O)C(=O)NC3=CC=C(C=C3)N4CC[NH+](CC4)CC

InChI

InChI=1S/C25H32N4O2/c1-3-19-5-9-23(10-6-19)29-18-20(17-24(29)30)25(31)26-21-7-11-22(12-8-21)28-15-13-27(4-2)14-16-28/h5-12,20H,3-4,13-18H2,1-2H3,(H,26,31)/p+1/t20-/m0/s1