tert-butyl 3-methyl-5-[(E)-4-oxidanylpent-1-enyl]-4H-pyrimidin-3-ium-3-carboxylate

Systemtic Name: tert-butyl 3-methyl-5-[(E)-4-oxidanylpent-1-enyl]-4H-pyrimidin-3-ium-3-carboxylate Openeye Name: tert-butyl 5-[(E)-4-hydroxypent-1-enyl]-3-methyl-4H-pyrimidin-3-ium-3-carboxylate CAS Name: 5-[(E)-4-hydroxypent-1-enyl]-3-methyl-4H-pyrimidin-3-ium-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-[(E)-4-hydroxypent-1-enyl]-3-methyl-4H-pyrimidin-3-ium-3-carboxylate Traditional Name: 5-[(E)-4-hydroxypent-1-enyl]-3-methyl-4H-pyrimidin-3-ium-3-carboxylic acid tert-butyl ester Formula: C15H25N2O3+ MolecularWeight: 281.3706

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC=CC1=CN=C[N+](C1)(C)C(=O)OC(C)(C)C)O

Isomeric SMILES

CC(C/C=C/C1=CN=C[N+](C1)(C)C(=O)OC(C)(C)C)O

InChI

InChI=1S/C15H25N2O3/c1-12(18)7-6-8-13-9-16-11-17(5,10-13)14(19)20-15(2,3)4/h6,8-9,11-12,18H,7,10H2,1-5H3/q+1/b8-6+