(3S)-3-(azocan-1-ium-1-yl)-1-(4-iodophenyl)pyrrolidine-2,5-dione

Systemtic Name: (3S)-3-(azocan-1-ium-1-yl)-1-(4-iodophenyl)pyrrolidine-2,5-dione Openeye Name: (3S)-3-(azocan-1-ium-1-yl)-1-(4-iodophenyl)pyrrolidine-2,5-dione CAS Name: (3S)-3-(1-azocan-1-iumyl)-1-(4-iodophenyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-3-(azocan-1-ium-1-yl)-1-(4-iodophenyl)pyrrolidine-2,5-dione Traditional Name: (3S)-3-(azocan-1-ium-1-yl)-1-(4-iodophenyl)pyrrolidine-2,5-quinone Formula: C17H22IN2O2+ MolecularWeight: 413.27325

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)I

Isomeric SMILES

C1CCC[NH+](CCC1)[C@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)I

InChI

InChI=1S/C17H21IN2O2/c18-13-6-8-14(9-7-13)20-16(21)12-15(17(20)22)19-10-4-2-1-3-5-11-19/h6-9,15H,1-5,10-12H2/p+1/t15-/m0/s1