4-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexyl-3-pyridin-1-ium-4-yl-piperazine-2,5-dione

Systemtic Name: 4-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexyl-3-pyridin-1-ium-4-yl-piperazine-2,5-dione Openeye Name: 4-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexyl-3-pyridin-1-ium-4-yl-piperazine-2,5-dione CAS Name: 4-[2-(1-cyclohexenyl)ethyl]-1-cyclohexyl-3-(4-pyridin-1-iumyl)piperazine-2,5-dione IUPAC Name: 4-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexyl-3-pyridin-1-ium-4-ylpiperazine-2,5-dione Traditional Name: 4-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexyl-3-pyridin-1-ium-4-yl-piperazine-2,5-quinone Formula: C23H32N3O2+ MolecularWeight: 382.51908

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CC(=O)N(C(C2=O)C3=CC=[NH+]C=C3)CCC4=CCCCC4

Isomeric SMILES

C1CCC(CC1)N2CC(=O)N(C(C2=O)C3=CC=[NH+]C=C3)CCC4=CCCCC4

InChI

InChI=1S/C23H31N3O2/c27-21-17-26(20-9-5-2-6-10-20)23(28)22(19-11-14-24-15-12-19)25(21)16-13-18-7-3-1-4-8-18/h7,11-12,14-15,20,22H,1-6,8-10,13,16-17H2/p+1