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

Systemtic Name: 1-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4,5-trione Openeye Name: 1-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-3-[2-(2-thienyl)ethyl]imidazolidine-2,4,5-trione CAS Name: 1-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4,5-trione IUPAC Name: 1-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4,5-trione Traditional Name: 1-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-3-[2-(2-thienyl)ethyl]imidazolidine-2,4,5-trione Formula: C19H23N5O3S+2 MolecularWeight: 401.48262

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)C(=O)N(C2=O)CCC3=CC=CS3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)C(=O)N(C2=O)CCC3=CC=CS3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C19H21N5O3S/c25-17-18(26)24(19(27)23(17)8-6-15-4-3-13-28-15)14-21-9-11-22(12-10-21)16-5-1-2-7-20-16/h1-5,7,13H,6,8-12,14H2/p+2