1-cyclopentyl-3-[[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]methyl]imidazolidine-2,4,5-trione

Systemtic Name: 1-cyclopentyl-3-[[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]methyl]imidazolidine-2,4,5-trione Openeye Name: 1-cyclopentyl-3-[[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]methyl]imidazolidine-2,4,5-trione CAS Name: 1-cyclopentyl-3-[[(2R)-2-(4-methoxyphenyl)-1-azepan-1-iumyl]methyl]imidazolidine-2,4,5-trione IUPAC Name: 1-cyclopentyl-3-[[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]methyl]imidazolidine-2,4,5-trione Traditional Name: 1-cyclopentyl-3-[[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]methyl]imidazolidine-2,4,5-trione Formula: C22H30N3O4+ MolecularWeight: 400.4913

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCC[NH+]2CN3C(=O)C(=O)N(C3=O)C4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCC[NH+]2CN3C(=O)C(=O)N(C3=O)C4CCCC4

InChI

InChI=1S/C22H29N3O4/c1-29-18-12-10-16(11-13-18)19-9-3-2-6-14-23(19)15-24-20(26)21(27)25(22(24)28)17-7-4-5-8-17/h10-13,17,19H,2-9,14-15H2,1H3/p+1/t19-/m1/s1