3-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-5,5-dipropyl-imidazolidine-2,4-dione

Systemtic Name: 3-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-5,5-dipropyl-imidazolidine-2,4-dione Openeye Name: 3-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-5,5-dipropyl-imidazolidine-2,4-dione CAS Name: 3-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]-5,5-dipropylimidazolidine-2,4-dione IUPAC Name: 3-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-5,5-dipropylimidazolidine-2,4-dione Traditional Name: 3-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]-5,5-dipropyl-hydantoin Formula: C20H30N5O3+ MolecularWeight: 388.4839

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C(=O)N(C(=O)N1)CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)CCC

Isomeric SMILES

CCCC1(C(=O)N(C(=O)N1)CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)CCC

InChI

InChI=1S/C20H29N5O3/c1-3-8-20(9-4-2)18(27)25(19(28)22-20)15-17(26)24-13-11-23(12-14-24)16-7-5-6-10-21-16/h5-7,10H,3-4,8-9,11-15H2,1-2H3,(H,22,28)/p+1