1-[3-octyl-4-(1-oxidanidylpyridin-1-ium-4-yl)piperazin-1-yl]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-[3-octyl-4-(1-oxidanidylpyridin-1-ium-4-yl)piperazin-1-yl]-1,3-diazinane-2,4,6-trione Openeye Name: 1-[3-octyl-4-(1-oxidopyridin-1-ium-4-yl)piperazin-1-yl]hexahydropyrimidine-2,4,6-trione CAS Name: 1-[3-octyl-4-(1-oxido-4-pyridin-1-iumyl)-1-piperazinyl]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-[3-octyl-4-(1-oxidopyridin-1-ium-4-yl)piperazin-1-yl]-1,3-diazinane-2,4,6-trione Traditional Name: 1-[3-octyl-4-(1-oxidopyridin-1-ium-4-yl)piperazino]barbituric acid Formula: C21H31N5O4 MolecularWeight: 417.50194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CN(CCN1C2=CC=[N+](C=C2)[O-])N3C(=O)CC(=O)NC3=O

Isomeric SMILES

CCCCCCCCC1CN(CCN1C2=CC=[N+](C=C2)[O-])N3C(=O)CC(=O)NC3=O

InChI

InChI=1S/C21H31N5O4/c1-2-3-4-5-6-7-8-18-16-23(26-20(28)15-19(27)22-21(26)29)13-14-25(18)17-9-11-24(30)12-10-17/h9-12,18H,2-8,13-16H2,1H3,(H,22,27,29)