(5S)-5-methyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-5-thiophen-2-yl-imidazolidine-2,4-dione

Systemtic Name: (5S)-5-methyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-5-thiophen-2-yl-imidazolidine-2,4-dione Openeye Name: (5S)-5-methyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-5-(2-thienyl)imidazolidine-2,4-dione CAS Name: (5S)-5-methyl-3-[(4-phenyl-1-piperazin-1-iumyl)methyl]-5-thiophen-2-ylimidazolidine-2,4-dione IUPAC Name: (5S)-5-methyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-5-thiophen-2-ylimidazolidine-2,4-dione Traditional Name: (5S)-5-methyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-5-(2-thienyl)hydantoin Formula: C19H23N4O2S+ MolecularWeight: 371.47652

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C(=O)N1)C[NH+]2CCN(CC2)C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

C[C@]1(C(=O)N(C(=O)N1)C[NH+]2CCN(CC2)C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C19H22N4O2S/c1-19(16-8-5-13-26-16)17(24)23(18(25)20-19)14-21-9-11-22(12-10-21)15-6-3-2-4-7-15/h2-8,13H,9-12,14H2,1H3,(H,20,25)/p+1/t19-/m1/s1