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

Systemtic Name: (5S)-5-(3,4-dimethylphenyl)-5-phenyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4-dione Openeye Name: (5S)-5-(3,4-dimethylphenyl)-5-phenyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4-dione CAS Name: (5S)-5-(3,4-dimethylphenyl)-5-phenyl-3-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]imidazolidine-2,4-dione IUPAC Name: (5S)-5-(3,4-dimethylphenyl)-5-phenyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4-dione Traditional Name: (5S)-5-(3,4-dimethylphenyl)-5-phenyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]hydantoin Formula: C27H31N5O2+2 MolecularWeight: 457.56734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2(C(=O)N(C(=O)N2)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)[C@]2(C(=O)N(C(=O)N2)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)C5=CC=CC=C5)C

InChI

InChI=1S/C27H29N5O2/c1-20-11-12-23(18-21(20)2)27(22-8-4-3-5-9-22)25(33)32(26(34)29-27)19-30-14-16-31(17-15-30)24-10-6-7-13-28-24/h3-13,18H,14-17,19H2,1-2H3,(H,29,34)/p+2/t27-/m0/s1