1-(4-methylphenyl)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4,5-trione

Systemtic Name: 1-(4-methylphenyl)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4,5-trione Openeye Name: 1-(p-tolyl)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4,5-trione CAS Name: 1-(4-methylphenyl)-3-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]imidazolidine-2,4,5-trione IUPAC Name: 1-(4-methylphenyl)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4,5-trione Traditional Name: 1-(p-tolyl)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4,5-trione Formula: C20H23N5O3+2 MolecularWeight: 381.42832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=O)N(C2=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C(=O)N(C2=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H21N5O3/c1-15-5-7-16(8-6-15)25-19(27)18(26)24(20(25)28)14-22-10-12-23(13-11-22)17-4-2-3-9-21-17/h2-9H,10-14H2,1H3/p+2