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

Systemtic Name: (5S)-5-methyl-1-(4-methylphenyl)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4-dione Openeye Name: (5S)-5-methyl-1-(p-tolyl)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4-dione CAS Name: (5S)-5-methyl-1-(4-methylphenyl)-3-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]imidazolidine-2,4-dione IUPAC Name: (5S)-5-methyl-1-(4-methylphenyl)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4-dione Traditional Name: (5S)-5-methyl-1-(p-tolyl)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]hydantoin Formula: C21H27N5O2+2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C(=O)N1C2=CC=C(C=C2)C)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C[C@H]1C(=O)N(C(=O)N1C2=CC=C(C=C2)C)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H25N5O2/c1-16-6-8-18(9-7-16)26-17(2)20(27)25(21(26)28)15-23-11-13-24(14-12-23)19-5-3-4-10-22-19/h3-10,17H,11-15H2,1-2H3/p+2/t17-/m0/s1