6-(9-azoniaspiro[5.5]undecan-9-yl)-3-oxidanyl-pyrimidin-3-ium-2,4-diamine dichloride

Systemtic Name: 6-(9-azoniaspiro[5.5]undecan-9-yl)-3-oxidanyl-pyrimidin-3-ium-2,4-diamine dichloride Openeye Name: 6-(9-azoniaspiro[5.5]undecan-9-yl)-3-hydroxy-pyrimidin-3-ium-2,4-diamine dichloride CAS Name: 6-(9-azoniaspiro[5.5]undecan-9-yl)-3-hydroxypyrimidin-3-ium-2,4-diamine dichloride IUPAC Name: 6-(9-azoniaspiro[5.5]undecan-9-yl)-3-hydroxypyrimidin-3-ium-2,4-diamine dichloride Traditional Name: [2-amino-6-(9-azoniaspiro[5.5]undecan-9-yl)-3-hydroxy-pyrimidin-3-ium-4-yl]amine dichloride Formula: C14H25Cl2N5O MolecularWeight: 350.2872

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)CC[NH+](CC2)C3=CC(=[N+](C(=N3)N)O)N.[Cl-].[Cl-]

Isomeric SMILES

C1CCC2(CC1)CC[NH+](CC2)C3=CC(=[N+](C(=N3)N)O)N.[Cl-].[Cl-]

InChI

InChI=1S/C14H23N5O.2ClH/c15-11-10-12(17-13(16)19(11)20)18-8-6-14(7-9-18)4-2-1-3-5-14;;/h10,20H,1-9H2,(H3,15,16,17);2*1H