1-[2-(cyclohexen-1-yl)ethyl]-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4,5-trione

Systemtic Name: 1-[2-(cyclohexen-1-yl)ethyl]-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4,5-trione Openeye Name: 1-[2-(cyclohexen-1-yl)ethyl]-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4,5-trione CAS Name: 1-[2-(1-cyclohexenyl)ethyl]-3-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]imidazolidine-2,4,5-trione IUPAC Name: 1-[2-(cyclohexen-1-yl)ethyl]-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4,5-trione Traditional Name: 1-[2-(cyclohexen-1-yl)ethyl]-3-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]imidazolidine-2,4,5-trione Formula: C20H27N6O3+ MolecularWeight: 399.46678

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCN2C(=O)C(=O)N(C2=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CCC(=CC1)CCN2C(=O)C(=O)N(C2=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H26N6O3/c27-17-18(28)26(20(29)25(17)10-7-16-5-2-1-3-6-16)15-23-11-13-24(14-12-23)19-21-8-4-9-22-19/h4-5,8-9H,1-3,6-7,10-15H2/p+1