(3S)-3-(4-ethylpiperazin-1-ium-1-yl)-1-(4-piperidin-1-ylphenyl)pyrrolidine-2,5-dione

Systemtic Name: (3S)-3-(4-ethylpiperazin-1-ium-1-yl)-1-(4-piperidin-1-ylphenyl)pyrrolidine-2,5-dione Openeye Name: (3S)-3-(4-ethylpiperazin-1-ium-1-yl)-1-[4-(1-piperidyl)phenyl]pyrrolidine-2,5-dione CAS Name: (3S)-3-(4-ethyl-1-piperazin-1-iumyl)-1-[4-(1-piperidinyl)phenyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-3-(4-ethylpiperazin-1-ium-1-yl)-1-(4-piperidin-1-ylphenyl)pyrrolidine-2,5-dione Traditional Name: (3S)-3-(4-ethylpiperazin-1-ium-1-yl)-1-(4-piperidinophenyl)pyrrolidine-2,5-quinone Formula: C21H31N4O2+ MolecularWeight: 371.49644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)N4CCCCC4

Isomeric SMILES

CCN1CC[NH+](CC1)[C@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)N4CCCCC4

InChI

InChI=1S/C21H30N4O2/c1-2-22-12-14-24(15-13-22)19-16-20(26)25(21(19)27)18-8-6-17(7-9-18)23-10-4-3-5-11-23/h6-9,19H,2-5,10-16H2,1H3/p+1/t19-/m0/s1