1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]methyl]-3-cyclopentyl-imidazolidine-2,4,5-trione

Systemtic Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]methyl]-3-cyclopentyl-imidazolidine-2,4,5-trione Openeye Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]methyl]-3-cyclopentyl-imidazolidine-2,4,5-trione CAS Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]methyl]-3-cyclopentylimidazolidine-2,4,5-trione IUPAC Name: 1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]methyl]-3-cyclopentylimidazolidine-2,4,5-trione Traditional Name: 1-cyclopentyl-3-[(4-piperonylpiperazin-4-ium-1-yl)methyl]imidazolidine-2,4,5-trione Formula: C21H27N4O5+ MolecularWeight: 415.46288

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=O)C(=O)N(C2=O)CN3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC(C1)N2C(=O)C(=O)N(C2=O)CN3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H26N4O5/c26-19-20(27)25(16-3-1-2-4-16)21(28)24(19)13-23-9-7-22(8-10-23)12-15-5-6-17-18(11-15)30-14-29-17/h5-6,11,16H,1-4,7-10,12-14H2/p+1