N-(4-tert-butylcyclohexyl)-5-methoxy-6-(methoxymethyl)-1-(methylsulfanylmethyl)pyrimidin-1-ium-4-amine nitrate

Systemtic Name: N-(4-tert-butylcyclohexyl)-5-methoxy-6-(methoxymethyl)-1-(methylsulfanylmethyl)pyrimidin-1-ium-4-amine nitrate Openeye Name: N-(4-tert-butylcyclohexyl)-5-methoxy-6-(methoxymethyl)-1-(methylsulfanylmethyl)pyrimidin-1-ium-4-amine nitrate CAS Name: N-(4-tert-butylcyclohexyl)-5-methoxy-6-(methoxymethyl)-1-[(methylthio)methyl]-4-pyrimidin-1-iumamine nitrate IUPAC Name: N-(4-tert-butylcyclohexyl)-5-methoxy-6-(methoxymethyl)-1-(methylsulfanylmethyl)pyrimidin-1-ium-4-amine nitrate Traditional Name: (4-tert-butylcyclohexyl)-[5-methoxy-6-(methoxymethyl)-1-[(methylthio)methyl]pyrimidin-1-ium-4-yl]amine nitrate Formula: C19H34N4O5S MolecularWeight: 430.56206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)NC2=C(C(=[N+](C=N2)CSC)COC)OC.[N+](=O)([O-])[O-]

Isomeric SMILES

CC(C)(C)C1CCC(CC1)NC2=C(C(=[N+](C=N2)CSC)COC)OC.[N+](=O)([O-])[O-]

InChI

InChI=1S/C19H33N3O2S.NO3/c1-19(2,3)14-7-9-15(10-8-14)21-18-17(24-5)16(11-23-4)22(12-20-18)13-25-6;2-1(3)4/h12,14-15H,7-11,13H2,1-6H3;/q;-1/p+1