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

Systemtic Name: 1-[2-(cyclohexen-1-yl)ethyl]-3-[(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4,5-trione Openeye Name: 1-[2-(cyclohexen-1-yl)ethyl]-3-[[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]imidazolidine-2,4,5-trione CAS Name: 1-[2-(1-cyclohexenyl)ethyl]-3-[[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]methyl]imidazolidine-2,4,5-trione IUPAC Name: 1-[2-(cyclohexen-1-yl)ethyl]-3-[[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]imidazolidine-2,4,5-trione Traditional Name: 1-[2-(cyclohexen-1-yl)ethyl]-3-[[4-(2-thenoyl)piperazin-1-ium-1-yl]methyl]imidazolidine-2,4,5-trione Formula: C21H27N4O4S+ MolecularWeight: 431.52848

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCN2C(=O)C(=O)N(C2=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

C1CCC(=CC1)CCN2C(=O)C(=O)N(C2=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C21H26N4O4S/c26-18(17-7-4-14-30-17)23-12-10-22(11-13-23)15-25-20(28)19(27)24(21(25)29)9-8-16-5-2-1-3-6-16/h4-5,7,14H,1-3,6,8-13,15H2/p+1